2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine

C20H23N5 — CID 99780455

IUPAC2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
SMILESNc1nc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C20H23N5/c21-19-17-10-4-5-11-18(17)23-20(24-19)22-16-9-6-12-25(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H3,21,22,23,24)/t16-/m1/s1
InChIKeyJDRYRVCALDCSLH-MRXNPFEDSA-N
MW333.44 g/mol
LogP3.29
Rot. Bonds4

About 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine

2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine (PubChem CID 99780455) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
PubChem CID99780455
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
SMILESNc1nc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc2ccccc12
InChIInChI=1S/C20H23N5/c21-19-17-10-4-5-11-18(17)23-20(24-19)22-16-9-6-12-25(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H3,21,22,23,24)/t16-/m1/s1
InChIKeyJDRYRVCALDCSLH-MRXNPFEDSA-N
XLogP3.29
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine 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

4-(azepan-1-yl)-N-(1-benzylpiperidin-3-yl)quinazolin-2-amine
CID 77215106
N-(1-benzylpiperidin-3-yl)-5-fluoropyrimidin-2-amine
CID 115749931
2-N-(1-benzylpyrrolidin-3-yl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 130559113
1-benzyl-N-(1H-imidazol-2-yl)piperidin-3-amine
CID 106575517
N-(1-benzylpiperidin-3-yl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 113258988
2-N-[(3S)-thian-3-yl]quinazoline-2,4-diamine
CID 97250083
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-N-[4-(aminomethyl)cyclohexyl]quinazoline-2,4-diamine
CID 67720732
4-(azepan-1-yl)-N-(1-benzylpiperidin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
CID 66902937
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
1-benzyl-N-(1-methyltetrazol-5-yl)piperidin-3-amine
CID 63719013
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine (CID 99780455) is 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine is Nc1nc(N[C@@H]2CCCN(Cc3ccccc3)C2)nc2ccccc12.
What is the InChIKey of 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine?
The InChIKey is JDRYRVCALDCSLH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5/c21-19-17-10-4-5-11-18(17)23-20(24-19)22-16-9-6-12-25(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H3,21,22,23,24)/t16-/m1/s1.
What are the key properties of 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine?
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine has a molecular weight of 333.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 99780455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).