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

C15H28N4 — CID 80839230

IUPAC6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC(C)CCC(C)C
InChIInChI=1S/C15H28N4/c1-6-7-13-14(16-5)17-10-18-15(13)19-12(4)9-8-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyYUBMZSCDVAXPPP-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.71
Rot. Bonds8

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

6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80839230) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
PubChem CID80839230
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NC(C)CCC(C)C
InChIInChI=1S/C15H28N4/c1-6-7-13-14(16-5)17-10-18-15(13)19-12(4)9-8-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19)
InChIKeyYUBMZSCDVAXPPP-UHFFFAOYSA-N
XLogP3.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 113473144
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
6-N-ethyl-4-N-hexan-2-yl-5-propylpyrimidine-4,6-diamine
CID 80822476
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
N-methyl-6-(3-methylbutoxy)-5-propylpyrimidin-4-amine
CID 80858342
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
4-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852827
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904538

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine (CID 80839230) is 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NC(C)CCC(C)C.
What is the InChIKey of 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is YUBMZSCDVAXPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-7-13-14(16-5)17-10-18-15(13)19-12(4)9-8-11(2)3/h10-12H,6-9H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 264.42 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80839230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).