N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine

C20H26N6 — CID 95714904

IUPACN,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1cccc2[nH]c([C@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)nc12
InChIInChI=1S/C20H26N6/c1-14-6-4-8-17-18(14)24-19(23-17)16-7-5-9-26(13-16)12-15-10-21-20(22-11-15)25(2)3/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyNLFSELQIAZVNOR-INIZCTEOSA-N
MW350.47 g/mol
LogP3.11
Rot. Bonds4

About N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 95714904) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID95714904
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESCc1cccc2[nH]c([C@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)nc12
InChIInChI=1S/C20H26N6/c1-14-6-4-8-17-18(14)24-19(23-17)16-7-5-9-26(13-16)12-15-10-21-20(22-11-15)25(2)3/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3,(H,23,24)/t16-/m0/s1
InChIKeyNLFSELQIAZVNOR-INIZCTEOSA-N
XLogP3.11
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

[5-[[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95217260
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CID 95208006
1-ethyl-4-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 95710524
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CID 72845571
N,N-dimethyl-3-[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 97434489
3-(2-methoxyethyl)-5-[[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 91829876
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
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2-methyl-5-[[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 125022368
1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70768103
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 96576304
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine (CID 95714904) is N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine is Cc1cccc2[nH]c([C@H]3CCCN(Cc4cnc(N(C)C)nc4)C3)nc12.
What is the InChIKey of N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is NLFSELQIAZVNOR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N6/c1-14-6-4-8-17-18(14)24-19(23-17)16-7-5-9-26(13-16)12-15-10-21-20(22-11-15)25(2)3/h4,6,8,10-11,16H,5,7,9,12-13H2,1-3H3,(H,23,24)/t16-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 95714904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).