N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C21H29N5 — CID 56741664

IUPACN-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCCCC2CCNc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C21H29N5/c1-2-6-17(7-3-1)15-26-13-5-4-8-18(26)9-12-23-21-19-10-11-22-14-20(19)24-16-25-21/h1-3,6-7,16,18,22H,4-5,8-15H2,(H,23,24,25)
InChIKeyJCGMCSOVROCMPO-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.98
Rot. Bonds6

About N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56741664) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56741664
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCCCC2CCNc2ncnc3c2CCNC3)cc1
InChIInChI=1S/C21H29N5/c1-2-6-17(7-3-1)15-26-13-5-4-8-18(26)9-12-23-21-19-10-11-22-14-20(19)24-16-25-21/h1-3,6-7,16,18,22H,4-5,8-15H2,(H,23,24,25)
InChIKeyJCGMCSOVROCMPO-UHFFFAOYSA-N
XLogP2.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97126067
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
[1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 56909374
[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95724044
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95219752
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56741664) is N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is c1ccc(CN2CCCCC2CCNc2ncnc3c2CCNC3)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is JCGMCSOVROCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-2-6-17(7-3-1)15-26-13-5-4-8-18(26)9-12-23-21-19-10-11-22-14-20(19)24-16-25-21/h1-3,6-7,16,18,22H,4-5,8-15H2,(H,23,24,25).
What are the key properties of N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 351.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56741664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).