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

C13H24N4 — CID 80769669

IUPAC2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-6-7-14-12-10(4)13(15-8-9(2)3)17-11(5)16-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyDKYJHNDPBZGUKY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.98
Rot. Bonds6

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

2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80769669) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
PubChem CID80769669
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C)nc(NCC(C)C)c1C
InChIInChI=1S/C13H24N4/c1-6-7-14-12-10(4)13(15-8-9(2)3)17-11(5)16-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyDKYJHNDPBZGUKY-UHFFFAOYSA-N
XLogP2.98
TPSA49.84 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 ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
2,5-dimethyl-4-N-(5-methylhexyl)-6-N-propylpyrimidine-4,6-diamine
CID 115327725
2-cyclopropyl-5-methyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80980633
4-N-butan-2-yl-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766465
2-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780005
6-chloro-2,5-dimethyl-N-(2-methylpropyl)pyrimidin-4-amine
CID 63736491
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
3-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 80992450
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474
4-N-[2-(dimethylamino)propyl]-2-ethyl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80983119
2,5-dimethyl-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80791800

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine (CID 80769669) is 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C)nc(NCC(C)C)c1C.
What is the InChIKey of 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DKYJHNDPBZGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-7-14-12-10(4)13(15-8-9(2)3)17-11(5)16-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80769669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).