4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

C19H24N6 — CID 124968293

IUPAC4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCCn1c(CN2CCCC[C@H]2c2ccnc(N)n2)nc2ccccc21
InChIInChI=1S/C19H24N6/c1-2-25-17-9-4-3-7-14(17)22-18(25)13-24-12-6-5-8-16(24)15-10-11-21-19(20)23-15/h3-4,7,9-11,16H,2,5-6,8,12-13H2,1H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyIZWUJICVVZISOP-INIZCTEOSA-N
MW336.44 g/mol
LogP3.16
Rot. Bonds4

About 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 124968293) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID124968293
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCCn1c(CN2CCCC[C@H]2c2ccnc(N)n2)nc2ccccc21
InChIInChI=1S/C19H24N6/c1-2-25-17-9-4-3-7-14(17)22-18(25)13-24-12-6-5-8-16(24)15-10-11-21-19(20)23-15/h3-4,7,9-11,16H,2,5-6,8,12-13H2,1H3,(H2,20,21,23)/t16-/m0/s1
InChIKeyIZWUJICVVZISOP-INIZCTEOSA-N
XLogP3.16
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244811
N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine
CID 110265165
4-[(2S)-1-[(2,6-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124953664
4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95845166
4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244815
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 132776569
1-methyl-2-[[(2R)-2-pyrazin-2-ylpyrrolidin-1-yl]methyl]benzimidazole
CID 124943222
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 124968293) is 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is CCn1c(CN2CCCC[C@H]2c2ccnc(N)n2)nc2ccccc21.
What is the InChIKey of 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is IZWUJICVVZISOP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-25-17-9-4-3-7-14(17)22-18(25)13-24-12-6-5-8-16(24)15-10-11-21-19(20)23-15/h3-4,7,9-11,16H,2,5-6,8,12-13H2,1H3,(H2,20,21,23)/t16-/m0/s1.
What are the key properties of 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 124968293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).