N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine

C18H24N4 — CID 97126067

IUPACN-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
SMILESc1ccc(CN2CCCC[C@H]2CCNc2ccncn2)cc1
InChIInChI=1S/C18H24N4/c1-2-6-16(7-3-1)14-22-13-5-4-8-17(22)9-12-20-18-10-11-19-15-21-18/h1-3,6-7,10-11,15,17H,4-5,8-9,12-14H2,(H,19,20,21)/t17-/m0/s1
InChIKeySIPFNWJLQRVBGH-KRWDZBQOSA-N
MW296.42 g/mol
LogP3.33
Rot. Bonds6

About N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine

N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine (PubChem CID 97126067) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
PubChem CID97126067
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine
SMILESc1ccc(CN2CCCC[C@H]2CCNc2ccncn2)cc1
InChIInChI=1S/C18H24N4/c1-2-6-16(7-3-1)14-22-13-5-4-8-17(22)9-12-20-18-10-11-19-15-21-18/h1-3,6-7,10-11,15,17H,4-5,8-9,12-14H2,(H,19,20,21)/t17-/m0/s1
InChIKeySIPFNWJLQRVBGH-KRWDZBQOSA-N
XLogP3.33
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidin-4-amine
CID 97137441
N-[2-(1-benzylpiperidin-2-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741664
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
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-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
The IUPAC name of N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine (CID 97126067) is N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine is c1ccc(CN2CCCC[C@H]2CCNc2ccncn2)cc1.
What is the InChIKey of N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
The InChIKey is SIPFNWJLQRVBGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-6-16(7-3-1)14-22-13-5-4-8-17(22)9-12-20-18-10-11-19-15-21-18/h1-3,6-7,10-11,15,17H,4-5,8-9,12-14H2,(H,19,20,21)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine?
N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-benzylpiperidin-2-yl]ethyl]pyrimidin-4-amine is sourced from PubChem (CID 97126067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).