5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine

C13H24N4 — CID 80981770

IUPAC5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-5-6-11-16-12(14)10(4)13(17-11)15-8-7-9(2)3/h9H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyDFKZZDUYUCWNSQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.78
Rot. Bonds6

About 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine

5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 80981770) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
PubChem CID80981770
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)c(C)c(NCCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-5-6-11-16-12(14)10(4)13(17-11)15-8-7-9(2)3/h9H,5-8H2,1-4H3,(H3,14,15,16,17)
InChIKeyDFKZZDUYUCWNSQ-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163224
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
5-methyl-2-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146362
1-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 113493096
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 104830532
N-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993418
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 107819112
5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
3-[2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117399
5-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991865
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343532

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine (CID 80981770) is 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)c(C)c(NCCC(C)C)n1.
What is the InChIKey of 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is DFKZZDUYUCWNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-6-11-16-12(14)10(4)13(17-11)15-8-7-9(2)3/h9H,5-8H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine?
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).