N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C15H22N6 — CID 50971632

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCCc2ncc[nH]2)c1C
InChIInChI=1S/C15H22N6/c1-11-12(2)19-15(21-9-3-4-10-21)20-14(11)18-6-5-13-16-7-8-17-13/h7-8H,3-6,9-10H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyYJRMOCXHXBDCPE-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 50971632) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID50971632
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1nc(N2CCCC2)nc(NCCc2ncc[nH]2)c1C
InChIInChI=1S/C15H22N6/c1-11-12(2)19-15(21-9-3-4-10-21)20-14(11)18-6-5-13-16-7-8-17-13/h7-8H,3-6,9-10H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyYJRMOCXHXBDCPE-UHFFFAOYSA-N
XLogP2.07
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 50971632) is N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1nc(N2CCCC2)nc(NCCc2ncc[nH]2)c1C.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is YJRMOCXHXBDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-12(2)19-15(21-9-3-4-10-21)20-14(11)18-6-5-13-16-7-8-17-13/h7-8H,3-6,9-10H2,1-2H3,(H,16,17)(H,18,19,20).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50971632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).