N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine

C14H20N6 — CID 126887338

IUPACN-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CCn3ccnc3)CC2)ncn1
InChIInChI=1S/C14H20N6/c1-4-15-11-17-14(1)18-13-2-6-19(7-3-13)9-10-20-8-5-16-12-20/h1,4-5,8,11-13H,2-3,6-7,9-10H2,(H,15,17,18)
InChIKeyFOEQCUYOUJOOGT-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.25
Rot. Bonds5

About N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887338) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887338
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(CCn3ccnc3)CC2)ncn1
InChIInChI=1S/C14H20N6/c1-4-15-11-17-14(1)18-13-2-6-19(7-3-13)9-10-20-8-5-16-12-20/h1,4-5,8,11-13H,2-3,6-7,9-10H2,(H,15,17,18)
InChIKeyFOEQCUYOUJOOGT-UHFFFAOYSA-N
XLogP1.25
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254
1-methyl-5-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-2-one
CID 126887389
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887336
2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-1-(1,3-thiazol-4-yl)ethanol
CID 126887436
N-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887356
N-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172893096
N-(4-methoxycyclohexyl)pyrimidin-4-amine
CID 123137829
(3R)-1-(2-imidazol-1-ylethyl)pyrrolidin-3-amine
CID 94340676
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine (CID 126887338) is N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(CCn3ccnc3)CC2)ncn1.
What is the InChIKey of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is FOEQCUYOUJOOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-4-15-11-17-14(1)18-13-2-6-19(7-3-13)9-10-20-8-5-16-12-20/h1,4-5,8,11-13H,2-3,6-7,9-10H2,(H,15,17,18).
What are the key properties of N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 272.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).