4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

C17H26N6 — CID 132776569

IUPAC4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCCCCc1ncc(CN2CCCCC2c2ccnc(N)n2)[nH]1
InChIInChI=1S/C17H26N6/c1-2-3-7-16-20-11-13(21-16)12-23-10-5-4-6-15(23)14-8-9-19-17(18)22-14/h8-9,11,15H,2-7,10,12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyLMWSAKSGWFRRHZ-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.85
Rot. Bonds6

About 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine

4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (PubChem CID 132776569) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
PubChem CID132776569
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
SMILESCCCCc1ncc(CN2CCCCC2c2ccnc(N)n2)[nH]1
InChIInChI=1S/C17H26N6/c1-2-3-7-16-20-11-13(21-16)12-23-10-5-4-6-15(23)14-8-9-19-17(18)22-14/h8-9,11,15H,2-7,10,12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyLMWSAKSGWFRRHZ-UHFFFAOYSA-N
XLogP2.85
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 124969207
4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 125000364
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
2-[[6-[1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
CID 132778416
4-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244815
4-[1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244811
4-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124968293
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
N-methyl-4-[1-[(2-propylpyrimidin-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 127244826
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine (CID 132776569) is 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is CCCCc1ncc(CN2CCCCC2c2ccnc(N)n2)[nH]1.
What is the InChIKey of 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is LMWSAKSGWFRRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-2-3-7-16-20-11-13(21-16)12-23-10-5-4-6-15(23)14-8-9-19-17(18)22-14/h8-9,11,15H,2-7,10,12H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine?
4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 314.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 132776569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).