1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol

C13H24N4O2 — CID 106248711

IUPAC1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1ncc(C)c(NCCC(O)COC)n1
InChIInChI=1S/C13H24N4O2/c1-4-6-15-13-16-8-10(2)12(17-13)14-7-5-11(18)9-19-3/h8,11,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyRWGAREISKGPGBP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.42
Rot. Bonds9

About 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol

1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 106248711) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID106248711
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCCNc1ncc(C)c(NCCC(O)COC)n1
InChIInChI=1S/C13H24N4O2/c1-4-6-15-13-16-8-10(2)12(17-13)14-7-5-11(18)9-19-3/h8,11,18H,4-7,9H2,1-3H3,(H2,14,15,16,17)
InChIKeyRWGAREISKGPGBP-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 113493071
1-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]pentan-3-ol
CID 113498180
4-methyl-1-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159661
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
4-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248733
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80832239
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
5-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-2-N-propylpyrimidine-2,4-diamine
CID 102908907
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601
4-N-(1-ethoxypropan-2-yl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80813857
4-N-(2-ethoxy-2-methylpropyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 114944668

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol (CID 106248711) is 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol is CCCNc1ncc(C)c(NCCC(O)COC)n1.
What is the InChIKey of 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is RWGAREISKGPGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-6-15-13-16-8-10(2)12(17-13)14-7-5-11(18)9-19-3/h8,11,18H,4-7,9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol?
1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 106248711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).