5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine

C19H21Cl2N5O2 — CID 144707820

IUPAC5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCNCCCOc1ccc(Cl)c(-c2nc(N)c(Cl)c(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C19H21Cl2N5O2/c1-10-15(11(2)28-26-10)17-16(21)18(22)25-19(24-17)13-9-12(5-6-14(13)20)27-8-4-7-23-3/h5-6,9,23H,4,7-8H2,1-3H3,(H2,22,24,25)
InChIKeyPLRIWURJTUVBAO-UHFFFAOYSA-N
MW422.32 g/mol
LogP4.29
Rot. Bonds7

About 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine

5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (PubChem CID 144707820) has the molecular formula C19H21Cl2N5O2 and a molecular weight of 422.32 g/mol. Its IUPAC name is 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
PubChem CID144707820
Molecular FormulaC19H21Cl2N5O2
Molecular Weight422.32 g/mol
Exact Mass421.11
IUPAC Name5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
SMILESCNCCCOc1ccc(Cl)c(-c2nc(N)c(Cl)c(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C19H21Cl2N5O2/c1-10-15(11(2)28-26-10)17-16(21)18(22)25-19(24-17)13-9-12(5-6-14(13)20)27-8-4-7-23-3/h5-6,9,23H,4,7-8H2,1-3H3,(H2,22,24,25)
InChIKeyPLRIWURJTUVBAO-UHFFFAOYSA-N
XLogP4.29
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine;1-cyclopropylpiperidine
CID 144707819
5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-N-cyclobutyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 144707902
2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-5-methylpyrimidin-4-amine;cyclopentane;ethanol
CID 145047676
2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 144707901
2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-N-(5-methyloxolan-3-yl)pyrimidin-4-amine
CID 144708043
3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(5-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-2-yl]phenoxy]-N-methylpropan-1-amine
CID 144708168
3-[4-chloro-3-[4-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]phenoxy]-N-methylpropan-1-amine
CID 144708119
3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-6-(2-methylsulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-N-methylpropan-1-amine
CID 145047698
methyl 4-[[2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]amino]-2-methylpiperidine-1-carboxylate
CID 145047508
3-[4-chloro-3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)pyrimidin-2-yl]phenoxy]-N-methylpropan-1-amine
CID 144707898
1-[3-[4-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]-4-chlorophenoxy]-3-(methylamino)propan-2-ol;1-cyclopropylpiperidine
CID 144707825
(2R)-1-[4-chloro-3-[5-chloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[[(2R)-oxolan-2-yl]methylamino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 118883982

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine (CID 144707820) is 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is CNCCCOc1ccc(Cl)c(-c2nc(N)c(Cl)c(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
The InChIKey is PLRIWURJTUVBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O2/c1-10-15(11(2)28-26-10)17-16(21)18(22)25-19(24-17)13-9-12(5-6-14(13)20)27-8-4-7-23-3/h5-6,9,23H,4,7-8H2,1-3H3,(H2,22,24,25).
What are the key properties of 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine?
5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine has a molecular weight of 422.32 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-chloro-5-[3-(methylamino)propoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 144707820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).