4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol

C13H24N4O — CID 80991675

IUPAC4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
SMILESCCCc1nc(NC)c(C)c(NCCC(C)O)n1
InChIInChI=1S/C13H24N4O/c1-5-6-11-16-12(14-4)10(3)13(17-11)15-8-7-9(2)18/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyKGYQSTBKCRHBFX-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.96
Rot. Bonds7

About 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol

4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol (PubChem CID 80991675) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
PubChem CID80991675
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
SMILESCCCc1nc(NC)c(C)c(NCCC(C)O)n1
InChIInChI=1S/C13H24N4O/c1-5-6-11-16-12(14-4)10(3)13(17-11)15-8-7-9(2)18/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyKGYQSTBKCRHBFX-UHFFFAOYSA-N
XLogP1.96
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
3-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propan-1-ol
CID 80981891
4-N-[2-(dimethylamino)propyl]-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982651
5-methyl-4-N-(3-methylbutyl)-2-propylpyrimidine-4,6-diamine
CID 80981770
4-N-(3-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80982288
N-ethyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]ethanesulfonamide
CID 106343430
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
N-methyl-2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanamide
CID 80987583
ethyl 2-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]propanoate
CID 80985906
4-N,5-dimethyl-4-N-pentan-2-yl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80986626
6-N,5-dimethyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80991956

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol (CID 80991675) is 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol is CCCc1nc(NC)c(C)c(NCCC(C)O)n1.
What is the InChIKey of 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is KGYQSTBKCRHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-11-16-12(14-4)10(3)13(17-11)15-8-7-9(2)18/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol?
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 80991675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).