6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine

C16H30N4 — CID 80991797

IUPAC6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NC(C)CC(C)CC)n1
InChIInChI=1S/C16H30N4/c1-7-9-14-19-15(17-6)13(5)16(20-14)18-12(4)10-11(3)8-2/h11-12H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyORLOVCVJXOLRMI-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.02
Rot. Bonds8

About 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine

6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80991797) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine
PubChem CID80991797
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(NC)c(C)c(NC(C)CC(C)CC)n1
InChIInChI=1S/C16H30N4/c1-7-9-14-19-15(17-6)13(5)16(20-14)18-12(4)10-11(3)8-2/h11-12H,7-10H2,1-6H3,(H2,17,18,19,20)
InChIKeyORLOVCVJXOLRMI-UHFFFAOYSA-N
XLogP4.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydrazinyl-5-methyl-N-(4-methylhexan-2-yl)-2-propylpyrimidin-4-amine
CID 81007165
N-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 80987583
3-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butanamide
CID 106347482
ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
CID 80985906
4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80765465
4-N-[2-(dimethylamino)propyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982651
4-N-(1-ethoxypropan-2-yl)-6-N-ethyl-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80983313
6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783396
4-N-(3-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982288
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179481
4-N-(2,2-dimethylcyclopropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982436

Frequently Asked Questions

What is the IUPAC name of 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine (CID 80991797) is 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(NC)c(C)c(NC(C)CC(C)CC)n1.
What is the InChIKey of 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is ORLOVCVJXOLRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-9-14-19-15(17-6)13(5)16(20-14)18-12(4)10-11(3)8-2/h11-12H,7-10H2,1-6H3,(H2,17,18,19,20).
What are the key properties of 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine?
6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-dimethyl-4-N-(4-methylhexan-2-yl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80991797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).