3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

C12H22N4O — CID 83180781

IUPAC3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(C)CCO)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-4-6-13-11-8-12(16-10(3)15-11)14-9(2)5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyMQWMHNBJQOABMG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.79
Rot. Bonds7

About 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol

3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83180781) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83180781
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCCNc1cc(NC(C)CCO)nc(C)n1
InChIInChI=1S/C12H22N4O/c1-4-6-13-11-8-12(16-10(3)15-11)14-9(2)5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyMQWMHNBJQOABMG-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852528
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
3-[[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 114565668
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 83180781) is 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is CCCNc1cc(NC(C)CCO)nc(C)n1.
What is the InChIKey of 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is MQWMHNBJQOABMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-6-13-11-8-12(16-10(3)15-11)14-9(2)5-7-17/h8-9,17H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83180781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).