N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

C19H22N6O2 — CID 171997600

IUPACN-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCOc1cc2ncnc(N3CCC(Nc4cc(C)ncn4)C3)c2cc1OC
InChIInChI=1S/C19H22N6O2/c1-12-6-18(22-10-20-12)24-13-4-5-25(9-13)19-14-7-16(26-2)17(27-3)8-15(14)21-11-23-19/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,20,22,24)
InChIKeyIZMRXTCQTMXGFF-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.44
Rot. Bonds5

About N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine

N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 171997600) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
PubChem CID171997600
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
SMILESCOc1cc2ncnc(N3CCC(Nc4cc(C)ncn4)C3)c2cc1OC
InChIInChI=1S/C19H22N6O2/c1-12-6-18(22-10-20-12)24-13-4-5-25(9-13)19-14-7-16(26-2)17(27-3)8-15(14)21-11-23-19/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,20,22,24)
InChIKeyIZMRXTCQTMXGFF-UHFFFAOYSA-N
XLogP2.44
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904041
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
N-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172880905
N-[1-(6-fluoroquinazolin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887875
N-[1-(5-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994184
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
N-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357922
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 58770603
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172891872
N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887890
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
N-[1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 172881077

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine (CID 171997600) is N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is COc1cc2ncnc(N3CCC(Nc4cc(C)ncn4)C3)c2cc1OC.
What is the InChIKey of N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is IZMRXTCQTMXGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12-6-18(22-10-20-12)24-13-4-5-25(9-13)19-14-7-16(26-2)17(27-3)8-15(14)21-11-23-19/h6-8,10-11,13H,4-5,9H2,1-3H3,(H,20,22,24).
What are the key properties of N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine?
N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 366.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 171997600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).