N-(2-imidazol-1-ylethyl)pyrimidin-4-amine

C9H11N5 — CID 61325111

IUPACN-(2-imidazol-1-ylethyl)pyrimidin-4-amine
SMILESc1cc(NCCn2ccnc2)ncn1
InChIInChI=1S/C9H11N5/c1-2-10-7-13-9(1)12-4-6-14-5-3-11-8-14/h1-3,5,7-8H,4,6H2,(H,10,12,13)
InChIKeyFFSADRILIBAZJH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.79
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)pyrimidin-4-amine

N-(2-imidazol-1-ylethyl)pyrimidin-4-amine (PubChem CID 61325111) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)pyrimidin-4-amine
PubChem CID61325111
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-(2-imidazol-1-ylethyl)pyrimidin-4-amine
SMILESc1cc(NCCn2ccnc2)ncn1
InChIInChI=1S/C9H11N5/c1-2-10-7-13-9(1)12-4-6-14-5-3-11-8-14/h1-3,5,7-8H,4,6H2,(H,10,12,13)
InChIKeyFFSADRILIBAZJH-UHFFFAOYSA-N
XLogP0.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035
4-N-(2-imidazol-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80809698
N-(2-imidazol-1-ylethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78955202
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887338
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
5-fluoro-N-(3-imidazol-1-ylpropyl)pyridin-2-amine
CID 61313733
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
N-methyl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 62658944
N-(2-imidazol-1-ylethyl)-6-methoxypyridin-2-amine
CID 63590047
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N-(2-imidazol-1-ylethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 75522198

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)pyrimidin-4-amine (CID 61325111) is N-(2-imidazol-1-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)pyrimidin-4-amine is c1cc(NCCn2ccnc2)ncn1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)pyrimidin-4-amine?
The InChIKey is FFSADRILIBAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-2-10-7-13-9(1)12-4-6-14-5-3-11-8-14/h1-3,5,7-8H,4,6H2,(H,10,12,13).
What are the key properties of N-(2-imidazol-1-ylethyl)pyrimidin-4-amine?
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine has a molecular weight of 189.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 61325111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).