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

C13H24N4O — CID 80992534

IUPAC4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
SMILESCNc1nc(C(C)C)nc(NCCC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11-16-12(14-5)10(4)13(17-11)15-7-6-9(3)18/h8-9,18H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyJASQZWGQRXABAQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.13
Rot. Bonds6

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

4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol (PubChem CID 80992534) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
PubChem CID80992534
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
SMILESCNc1nc(C(C)C)nc(NCCC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11-16-12(14-5)10(4)13(17-11)15-7-6-9(3)18/h8-9,18H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyJASQZWGQRXABAQ-UHFFFAOYSA-N
XLogP2.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
4-[[5-methyl-6-(methylamino)-2-propylpyrimidin-4-yl]amino]butan-2-ol
CID 80991675
N-[2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80993574
2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 80981186
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 114148682
2,2-dimethyl-3-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 115366534
6-N,5-dimethyl-4-N-(2-phenylethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80980846
6-N,5-dimethyl-2-propan-2-yl-4-N-(3-propoxypropyl)pyrimidine-4,6-diamine
CID 82946495
4-N-(2-methoxypropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102701807
4-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]butan-2-ol
CID 80992163
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
4-N-(2-methoxy-2-methylpropyl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 104767223

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol (CID 80992534) is 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol is CNc1nc(C(C)C)nc(NCCC(C)O)c1C.
What is the InChIKey of 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is JASQZWGQRXABAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)11-16-12(14-5)10(4)13(17-11)15-7-6-9(3)18/h8-9,18H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol?
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.13, 6 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-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 80992534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).