4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine

C18H22ClN5O3 — CID 59507455

IUPAC4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine
SMILESNc1cc(Cl)c(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H22ClN5O3/c19-14-9-16(20)21-11-13(14)15-10-17(27-12-1-5-25-6-2-12)23-18(22-15)24-3-7-26-8-4-24/h9-12H,1-8H2,(H2,20,21)
InChIKeyKTHMSWKEMIWVNG-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.17
Rot. Bonds4

About 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine

4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine (PubChem CID 59507455) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine
PubChem CID59507455
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine
SMILESNc1cc(Cl)c(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H22ClN5O3/c19-14-9-16(20)21-11-13(14)15-10-17(27-12-1-5-25-6-2-12)23-18(22-15)24-3-7-26-8-4-24/h9-12H,1-8H2,(H2,20,21)
InChIKeyKTHMSWKEMIWVNG-UHFFFAOYSA-N
XLogP2.17
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507810
4-chloro-5-[6-(1-methylsulfanylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]pyridin-2-amine;ethane
CID 145100381
5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]oxy-2-morpholin-4-ylpyrimidin-4-yl]pyrimidine-2,4-diamine
CID 59508004
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80873023
propan-2-yl (3R)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59507583
1-[3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidin-1-yl]ethanone;tert-butyl 3-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypyrrolidine-1-carboxylate;tert-butyl 3-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidine-1-carboxylate;5-(2-morpholin-4-yl-6-pyrrolidin-3-yloxypyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 161132437
[(3S)-3-[6-(2,4-diaminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-(4-fluorophenyl)methanone
CID 59507796
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
1-[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]oxycyclobutyl]-1,3,3-trimethylurea
CID 118637874
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine?
The IUPAC name of 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine (CID 59507455) is 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine?
The canonical SMILES for 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine is Nc1cc(Cl)c(-c2cc(OC3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine?
The InChIKey is KTHMSWKEMIWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c19-14-9-16(20)21-11-13(14)15-10-17(27-12-1-5-25-6-2-12)23-18(22-15)24-3-7-26-8-4-24/h9-12H,1-8H2,(H2,20,21).
What are the key properties of 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine?
4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine has a molecular weight of 391.86 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-morpholin-4-yl-6-(oxan-4-yloxy)pyrimidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 59507455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).