4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C17H32N4 — CID 104830615

IUPAC4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)C)nc(NC(C)C(C)(C)C)c1C
InChIInChI=1S/C17H32N4/c1-9-10-18-15-12(4)16(19-13(5)17(6,7)8)21-14(20-15)11(2)3/h11,13H,9-10H2,1-8H3,(H2,18,19,20,21)
InChIKeyOCDSKAPHHNNPHW-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.58
Rot. Bonds6

About 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 104830615) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID104830615
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)C)nc(NC(C)C(C)(C)C)c1C
InChIInChI=1S/C17H32N4/c1-9-10-18-15-12(4)16(19-13(5)17(6,7)8)21-14(20-15)11(2)3/h11,13H,9-10H2,1-8H3,(H2,18,19,20,21)
InChIKeyOCDSKAPHHNNPHW-UHFFFAOYSA-N
XLogP4.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine with MolForge

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Related Compounds

(2S)-3-methyl-2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80992681
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
4-N-(4-methoxybutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984651
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
4-N-(2,2-dimethylcyclopropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80982653
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 104830615) is 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C(C)C)nc(NC(C)C(C)(C)C)c1C.
What is the InChIKey of 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is OCDSKAPHHNNPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-9-10-18-15-12(4)16(19-13(5)17(6,7)8)21-14(20-15)11(2)3/h11,13H,9-10H2,1-8H3,(H2,18,19,20,21).
What are the key properties of 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 104830615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).