4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol

C13H24N4O2 — CID 106163035

IUPAC4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCCc1c(NC)ncnc1NC(CCO)COC
InChIInChI=1S/C13H24N4O2/c1-4-5-11-12(14-2)15-9-16-13(11)17-10(6-7-18)8-19-3/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyVQSRUFDSDNCXDH-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds9

About 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol

4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol (PubChem CID 106163035) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol
PubChem CID106163035
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol
SMILESCCCc1c(NC)ncnc1NC(CCO)COC
InChIInChI=1S/C13H24N4O2/c1-4-5-11-12(14-2)15-9-16-13(11)17-10(6-7-18)8-19-3/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyVQSRUFDSDNCXDH-UHFFFAOYSA-N
XLogP1.28
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol with MolForge

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Related Compounds

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 114152252
4-methyl-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106358084
4-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 80852754
6-N-methyl-4-N-(5-methylhexan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 80839230
2-methyl-5-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]pentan-1-ol
CID 106163228
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80812797
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264
6-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-5-propylpyrimidine-4,6-diamine
CID 113473144
3-[(6-chloro-5-nitropyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106162487
3-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 106163039
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol (CID 106163035) is 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol is CCCc1c(NC)ncnc1NC(CCO)COC.
What is the InChIKey of 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is VQSRUFDSDNCXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-5-11-12(14-2)15-9-16-13(11)17-10(6-7-18)8-19-3/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol?
4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 1.28, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 106163035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).