5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine

C15H17ClN4O2 — CID 141202625

IUPAC5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2ncncc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C15H17ClN4O2/c1-21-14-8-11(19-15-12(16)9-17-10-18-15)2-3-13(14)20-4-6-22-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,17,18,19)
InChIKeyMTTZZTOQPMTFOM-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine

5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 141202625) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID141202625
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCOc1cc(Nc2ncncc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C15H17ClN4O2/c1-21-14-8-11(19-15-12(16)9-17-10-18-15)2-3-13(14)20-4-6-22-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,17,18,19)
InChIKeyMTTZZTOQPMTFOM-UHFFFAOYSA-N
XLogP2.72
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxy-4-morpholin-4-ylphenyl)-6-[5-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473561
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
CID 71540732
3-N-(3-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976353
5-chloro-N-(2-methoxy-5-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 141139716
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 30298469
5-chloro-4-N-(2-methoxy-4-morpholin-4-ylphenyl)-2-N-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)pyrimidine-2,4-diamine
CID 131729546
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 148686575
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;quinazoline
CID 159535802
4-N-(3-chloro-4-morpholin-4-ylphenyl)-5-fluoro-2-N-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 67277131
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine
CID 117077782
(3-methoxy-4-morpholin-4-ylphenyl)boronic acid
CID 91825783

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 141202625) is 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine is COc1cc(Nc2ncncc2Cl)ccc1N1CCOCC1.
What is the InChIKey of 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is MTTZZTOQPMTFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-21-14-8-11(19-15-12(16)9-17-10-18-15)2-3-13(14)20-4-6-22-7-5-20/h2-3,8-10H,4-7H2,1H3,(H,17,18,19).
What are the key properties of 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine?
5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 320.78 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 141202625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).