6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

C16H23N7 — CID 70716303

IUPAC6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1cc(N2CCC(c3ncc[nH]3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C16H23N7/c17-13-11-14(21-16(20-13)23-7-1-2-8-23)22-9-3-12(4-10-22)15-18-5-6-19-15/h5-6,11-12H,1-4,7-10H2,(H,18,19)(H2,17,20,21)
InChIKeyGFEGUNHPZQTYPS-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.77
Rot. Bonds3

About 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine

6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 70716303) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID70716303
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESNc1cc(N2CCC(c3ncc[nH]3)CC2)nc(N2CCCC2)n1
InChIInChI=1S/C16H23N7/c17-13-11-14(21-16(20-13)23-7-1-2-8-23)22-9-3-12(4-10-22)15-18-5-6-19-15/h5-6,11-12H,1-4,7-10H2,(H,18,19)(H2,17,20,21)
InChIKeyGFEGUNHPZQTYPS-UHFFFAOYSA-N
XLogP1.77
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperazin-1-yl-2-piperidin-1-ylpyrimidin-4-amine
CID 67718296
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 70730935
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 70929943
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1,3-benzoxazole
CID 70720553
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
CID 130841205
4-chloro-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 166460131
4-(1H-imidazol-2-yl)cyclohexan-1-amine
CID 45120658
(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110483362
2-[3-(1H-imidazol-2-yl)piperidin-1-yl]pyrazine
CID 133448364
4-methyl-2-(4-methylpiperidin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112909232
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-thiophen-2-ylsulfanylpyrimidin-2-amine
CID 70737878

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 70716303) is 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine is Nc1cc(N2CCC(c3ncc[nH]3)CC2)nc(N2CCCC2)n1.
What is the InChIKey of 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is GFEGUNHPZQTYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c17-13-11-14(21-16(20-13)23-7-1-2-8-23)22-9-3-12(4-10-22)15-18-5-6-19-15/h5-6,11-12H,1-4,7-10H2,(H,18,19)(H2,17,20,21).
What are the key properties of 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine?
6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 313.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 70716303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).