6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine

C14H20ClN5 — CID 80972117

IUPAC6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C14H20ClN5/c1-4-5-12-18-13(15)11(3)14(19-12)17-10(2)8-20-7-6-16-9-20/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyXBHMQXYFIAOOEJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.09
Rot. Bonds6

About 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80972117) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80972117
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C14H20ClN5/c1-4-5-12-18-13(15)11(3)14(19-12)17-10(2)8-20-7-6-16-9-20/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyXBHMQXYFIAOOEJ-UHFFFAOYSA-N
XLogP3.09
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
CID 80939216
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
6-chloro-5-methyl-N-pent-4-yn-2-yl-2-propylpyrimidin-4-amine
CID 106196052
6-hydrazinyl-5-methyl-2-propyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80994648
4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985899
4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986213
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 114156614
6-chloro-5-methyl-N-[1-(4-methylphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 80978917
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 79076506
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 103582451

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine (CID 80972117) is 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC(C)Cn2ccnc2)n1.
What is the InChIKey of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is XBHMQXYFIAOOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-4-5-12-18-13(15)11(3)14(19-12)17-10(2)8-20-7-6-16-9-20/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 293.80 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80972117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).