3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol

C14H25N3O2 — CID 106177820

IUPAC3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCCCOc1cc(C)nc(NC(C)(CC)CCO)n1
InChIInChI=1S/C14H25N3O2/c1-5-9-19-12-10-11(3)15-13(16-12)17-14(4,6-2)7-8-18/h10,18H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyAXFDIBXSOFNGDK-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.54
Rot. Bonds8

About 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol

3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 106177820) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
PubChem CID106177820
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCCCOc1cc(C)nc(NC(C)(CC)CCO)n1
InChIInChI=1S/C14H25N3O2/c1-5-9-19-12-10-11(3)15-13(16-12)17-14(4,6-2)7-8-18/h10,18H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyAXFDIBXSOFNGDK-UHFFFAOYSA-N
XLogP2.54
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107866270
4-methyl-4-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 115973000
N-(3-chloro-2,2-dimethylpropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112635787
3-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103768344
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
3-methyl-3-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,3-diamine
CID 106165726
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635793
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-3-methylpentan-1-ol
CID 106179542
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol (CID 106177820) is 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol is CCCOc1cc(C)nc(NC(C)(CC)CCO)n1.
What is the InChIKey of 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is AXFDIBXSOFNGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-9-19-12-10-11(3)15-13(16-12)17-14(4,6-2)7-8-18/h10,18H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol?
3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methyl-6-propoxypyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 106177820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).