4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine

C18H25N5 — CID 117092145

IUPAC4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-2-19-18-20-11-8-17(22-18)21-16-9-12-23(13-10-16)14-15-6-4-3-5-7-15/h3-8,11,16H,2,9-10,12-14H2,1H3,(H2,19,20,21,22)
InChIKeyBKMLALJUSHQRTG-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.98
Rot. Bonds6

About 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine

4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 117092145) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID117092145
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(NC2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H25N5/c1-2-19-18-20-11-8-17(22-18)21-16-9-12-23(13-10-16)14-15-6-4-3-5-7-15/h3-8,11,16H,2,9-10,12-14H2,1H3,(H2,19,20,21,22)
InChIKeyBKMLALJUSHQRTG-UHFFFAOYSA-N
XLogP2.98
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-bis(1-benzylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 117081882
2-N-ethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 80807066
4-N-(1-benzylpiperidin-4-yl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 113258960
2-N-(1-benzylpiperidin-4-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 113258961
2-N-(1-benzylpiperidin-4-yl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 70694566
2-N-(1-benzylpiperidin-4-yl)-4-N-[2-[di(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 117078917
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpyrimidin-4-amine
CID 112884158
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72859087
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)pyrimidin-4-amine
CID 117091888
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine (CID 117092145) is 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(NC2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is BKMLALJUSHQRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-2-19-18-20-11-8-17(22-18)21-16-9-12-23(13-10-16)14-15-6-4-3-5-7-15/h3-8,11,16H,2,9-10,12-14H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine?
4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 311.43 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 4-N-(1-benzylpiperidin-4-yl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 117092145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).