2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine

C17H23N5 — CID 154857857

IUPAC2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
SMILESNc1nc(N2CCC(CN3CCCC3)C2)nc2ccccc12
InChIInChI=1S/C17H23N5/c18-16-14-5-1-2-6-15(14)19-17(20-16)22-10-7-13(12-22)11-21-8-3-4-9-21/h1-2,5-6,13H,3-4,7-12H2,(H2,18,19,20)
InChIKeyCDMNFQFLRWHUGJ-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.13
Rot. Bonds3

About 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine

2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine (PubChem CID 154857857) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
PubChem CID154857857
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
SMILESNc1nc(N2CCC(CN3CCCC3)C2)nc2ccccc12
InChIInChI=1S/C17H23N5/c18-16-14-5-1-2-6-15(14)19-17(20-16)22-10-7-13(12-22)11-21-8-3-4-9-21/h1-2,5-6,13H,3-4,7-12H2,(H2,18,19,20)
InChIKeyCDMNFQFLRWHUGJ-UHFFFAOYSA-N
XLogP2.13
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Imiquimod
CID 57469
4-Aminoquinazoline
CID 84759
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
1954U89
CID 177894
2,4,6-Triaminoquinazoline
CID 292661
N-Benzylquinazolin-4-amine
CID 616573
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine?
The IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine (CID 154857857) is 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine is Nc1nc(N2CCC(CN3CCCC3)C2)nc2ccccc12.
What is the InChIKey of 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine?
The InChIKey is CDMNFQFLRWHUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c18-16-14-5-1-2-6-15(14)19-17(20-16)22-10-7-13(12-22)11-21-8-3-4-9-21/h1-2,5-6,13H,3-4,7-12H2,(H2,18,19,20).
What are the key properties of 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine?
2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 154857857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).