4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine

C12H22N4 — CID 80765737

IUPAC4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)CC)c1C
InChIInChI=1S/C12H22N4/c1-5-7-13-11-10(4)12(15-8-14-11)16-9(3)6-2/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyIHJPQYGWNKRNAU-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.82
Rot. Bonds6

About 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine

4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80765737) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80765737
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC(C)CC)c1C
InChIInChI=1S/C12H22N4/c1-5-7-13-11-10(4)12(15-8-14-11)16-9(3)6-2/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyIHJPQYGWNKRNAU-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80800967
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148658
4-N-butan-2-yl-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80980971
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
6-butan-2-yloxy-5-methyl-N-propylpyrimidin-4-amine
CID 80866287
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783060

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80765737) is 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC(C)CC)c1C.
What is the InChIKey of 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is IHJPQYGWNKRNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-7-13-11-10(4)12(15-8-14-11)16-9(3)6-2/h8-9H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine?
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).