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

C21H24N6O2 — CID 172904041

IUPAC2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc2ncnc(N3CCC(Nc4ccnc(C5CC5)n4)C3)c2cc1OC
InChIInChI=1S/C21H24N6O2/c1-28-17-9-15-16(10-18(17)29-2)23-12-24-21(15)27-8-6-14(11-27)25-19-5-7-22-20(26-19)13-3-4-13/h5,7,9-10,12-14H,3-4,6,8,11H2,1-2H3,(H,22,25,26)
InChIKeyVEKZLVJKLVLGCN-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds6

About 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172904041) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172904041
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCOc1cc2ncnc(N3CCC(Nc4ccnc(C5CC5)n4)C3)c2cc1OC
InChIInChI=1S/C21H24N6O2/c1-28-17-9-15-16(10-18(17)29-2)23-12-24-21(15)27-8-6-14(11-27)25-19-5-7-22-20(26-19)13-3-4-13/h5,7,9-10,12-14H,3-4,6,8,11H2,1-2H3,(H,22,25,26)
InChIKeyVEKZLVJKLVLGCN-UHFFFAOYSA-N
XLogP3.01
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-6-methylpyrimidin-4-amine
CID 171997600
2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172903181
2-cyclopropyl-N-[1-(5-fluoro-6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172902294
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
2-cyclopropyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 172903254
1-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 58770603
4-[3-(3,4-dimethoxyphenoxy)pyrrolidin-1-yl]-6,7-dimethoxyquinazoline
CID 11553351
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888273
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-phenoxyphenyl)urea;ethane
CID 143371154

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 172904041) is 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is COc1cc2ncnc(N3CCC(Nc4ccnc(C5CC5)n4)C3)c2cc1OC.
What is the InChIKey of 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is VEKZLVJKLVLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-28-17-9-15-16(10-18(17)29-2)23-12-24-21(15)27-8-6-14(11-27)25-19-5-7-22-20(26-19)13-3-4-13/h5,7,9-10,12-14H,3-4,6,8,11H2,1-2H3,(H,22,25,26).
What are the key properties of 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 392.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172904041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).