4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H24N6 — CID 80985899

IUPAC4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NC(C)Cn2ccnc2)c1C
InChIInChI=1S/C15H24N6/c1-10(2)13-19-14(16-5)12(4)15(20-13)18-11(3)8-21-7-6-17-9-21/h6-7,9-11H,8H2,1-5H3,(H2,16,18,19,20)
InChIKeyNJEHJIAUBNAFKW-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.65
Rot. Bonds6

About 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80985899) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80985899
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NC(C)Cn2ccnc2)c1C
InChIInChI=1S/C15H24N6/c1-10(2)13-19-14(16-5)12(4)15(20-13)18-11(3)8-21-7-6-17-9-21/h6-7,9-11H,8H2,1-5H3,(H2,16,18,19,20)
InChIKeyNJEHJIAUBNAFKW-UHFFFAOYSA-N
XLogP2.65
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986213
6-N,2,5-trimethyl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80809420
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
4-N-(2-imidazol-1-ylethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80809045
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659641
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 79076506

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80985899) is 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NC(C)Cn2ccnc2)c1C.
What is the InChIKey of 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NJEHJIAUBNAFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-10(2)13-19-14(16-5)12(4)15(20-13)18-11(3)8-21-7-6-17-9-21/h6-7,9-11H,8H2,1-5H3,(H2,16,18,19,20).
What are the key properties of 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80985899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).