4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine

C17H18ClN7O2 — CID 164897040

IUPAC4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine
SMILESCOc1cc2ncnc(Nc3nc(Cl)cc(N4CCOCC4)n3)c2cc1N
InChIInChI=1S/C17H18ClN7O2/c1-26-13-7-12-10(6-11(13)19)16(21-9-20-12)24-17-22-14(18)8-15(23-17)25-2-4-27-5-3-25/h6-9H,2-5,19H2,1H3,(H,20,21,22,23,24)
InChIKeyVWDCRFSKCMCZGV-UHFFFAOYSA-N
MW387.83 g/mol
LogP2.24
Rot. Bonds4

About 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine

4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine (PubChem CID 164897040) has the molecular formula C17H18ClN7O2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine
PubChem CID164897040
Molecular FormulaC17H18ClN7O2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Name4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine
SMILESCOc1cc2ncnc(Nc3nc(Cl)cc(N4CCOCC4)n3)c2cc1N
InChIInChI=1S/C17H18ClN7O2/c1-26-13-7-12-10(6-11(13)19)16(21-9-20-12)24-17-22-14(18)8-15(23-17)25-2-4-27-5-3-25/h6-9H,2-5,19H2,1H3,(H,20,21,22,23,24)
InChIKeyVWDCRFSKCMCZGV-UHFFFAOYSA-N
XLogP2.24
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)amino]-7-methoxyquinazolin-6-yl]pentanediamide
CID 175759969
N-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-7-methoxy-6-nitroquinazolin-4-amine
CID 164897053
N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-fluoroquinazolin-4-amine
CID 156693875
6-chloro-2-N-(6,7-dimethoxyquinazolin-4-yl)-1,3,5-triazine-2,4-diamine
CID 10404612
methyl 5-[[7-methoxy-4-[(4-morpholin-4-ylpyrimidin-2-yl)amino]quinazolin-6-yl]amino]-5-oxopentanoate
CID 164897057
4-N-(3,4-dichloro-2-fluorophenyl)-7-methoxyquinazoline-4,6-diamine;hydrochloride
CID 174765218
7-methoxy-2-(2-morpholin-4-yl-4-pyridinyl)quinazoline-4,6-diamine
CID 175297707
4-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10137640
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
6-methoxy-N-(5-methyl-2-pyridinyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 142051918
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine (CID 164897040) is 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine is COc1cc2ncnc(Nc3nc(Cl)cc(N4CCOCC4)n3)c2cc1N.
What is the InChIKey of 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine?
The InChIKey is VWDCRFSKCMCZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O2/c1-26-13-7-12-10(6-11(13)19)16(21-9-20-12)24-17-22-14(18)8-15(23-17)25-2-4-27-5-3-25/h6-9H,2-5,19H2,1H3,(H,20,21,22,23,24).
What are the key properties of 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine?
4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine has a molecular weight of 387.83 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-7-methoxyquinazoline-4,6-diamine is sourced from PubChem (CID 164897040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).