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

C13H18ClN5 — CID 80939216

IUPAC6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H18ClN5/c1-3-4-12-17-11(14)7-13(18-12)16-10(2)8-19-6-5-15-9-19/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyFODKEGNGLDUUPS-UHFFFAOYSA-N
MW279.78 g/mol
LogP2.78
Rot. Bonds6

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

6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine (PubChem CID 80939216) has the molecular formula C13H18ClN5 and a molecular weight of 279.78 g/mol. Its IUPAC name is 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
PubChem CID80939216
Molecular FormulaC13H18ClN5
Molecular Weight279.78 g/mol
Exact Mass279.13
IUPAC Name6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H18ClN5/c1-3-4-12-17-11(14)7-13(18-12)16-10(2)8-19-6-5-15-9-19/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18)
InChIKeyFODKEGNGLDUUPS-UHFFFAOYSA-N
XLogP2.78
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.78
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
6-chloro-2-cyclopropyl-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80953581
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
6-chloro-N-(4-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80940416
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 82239276
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715
N-[1-(4-bromophenyl)ethyl]-6-chloro-2-propylpyrimidin-4-amine
CID 80938179
2-(1-imidazol-1-ylpropan-2-ylamino)-6-methylpyridine-4-carboxylic acid
CID 113378590
6-chloro-2-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80940460

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine (CID 80939216) is 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(NC(C)Cn2ccnc2)n1.
What is the InChIKey of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine?
The InChIKey is FODKEGNGLDUUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-3-4-12-17-11(14)7-13(18-12)16-10(2)8-19-6-5-15-9-19/h5-7,9-10H,3-4,8H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine?
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-2-propylpyrimidin-4-amine has a molecular weight of 279.78 g/mol, XLogP of 2.78, 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)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).