N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

C20H26N4 — CID 167810243

IUPACN-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESc1ccc(CN2CCC(Nc3ncc4c(n3)CCCC4)CC2)cc1
InChIInChI=1S/C20H26N4/c1-2-6-16(7-3-1)15-24-12-10-18(11-13-24)22-20-21-14-17-8-4-5-9-19(17)23-20/h1-3,6-7,14,18H,4-5,8-13,15H2,(H,21,22,23)
InChIKeyQZFXEEJVCQJXNC-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.43
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 167810243) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID167810243
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESc1ccc(CN2CCC(Nc3ncc4c(n3)CCCC4)CC2)cc1
InChIInChI=1S/C20H26N4/c1-2-6-16(7-3-1)15-24-12-10-18(11-13-24)22-20-21-14-17-8-4-5-9-19(17)23-20/h1-3,6-7,14,18H,4-5,8-13,15H2,(H,21,22,23)
InChIKeyQZFXEEJVCQJXNC-UHFFFAOYSA-N
XLogP3.43
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
CID 117089717
2-N-(1-benzylpiperidin-4-yl)-4-N-cyclopentyl-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 134108561
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-ethylpyrimidin-2-amine
CID 97203878
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
4-(azepan-1-yl)-N-(1-benzylpyrrolidin-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-amine
CID 66903055
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
N-(1-benzylpiperidin-4-yl)-5-bromopyridin-2-amine
CID 29049157

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 167810243) is N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is c1ccc(CN2CCC(Nc3ncc4c(n3)CCCC4)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is QZFXEEJVCQJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-2-6-16(7-3-1)15-24-12-10-18(11-13-24)22-20-21-14-17-8-4-5-9-19(17)23-20/h1-3,6-7,14,18H,4-5,8-13,15H2,(H,21,22,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 322.46 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 167810243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).