4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol

C14H25N3O2 — CID 112637072

IUPAC4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cc(OC(C)C)nc(NC(CO)CC(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)6-12(8-18)16-14-15-11(5)7-13(17-14)19-10(3)4/h7,9-10,12,18H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyQMWQMRHOFRHBCI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.39
Rot. Bonds7

About 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol

4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 112637072) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
PubChem CID112637072
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cc(OC(C)C)nc(NC(CO)CC(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)6-12(8-18)16-14-15-11(5)7-13(17-14)19-10(3)4/h7,9-10,12,18H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyQMWQMRHOFRHBCI-UHFFFAOYSA-N
XLogP2.39
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol with MolForge

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Related Compounds

3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 113495849
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
2-(hydroxymethyl)-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propane-1,3-diol
CID 107851350
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-methyl-1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,2-diamine
CID 107159428
N-(4-chlorobutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635800
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
4-methyl-N-pent-4-en-2-yl-6-propan-2-yloxypyrimidin-2-amine
CID 113466642
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
4-methyl-N-(1-phenylpropan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 115975028

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol (CID 112637072) is 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol is Cc1cc(OC(C)C)nc(NC(CO)CC(C)C)n1.
What is the InChIKey of 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is QMWQMRHOFRHBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)6-12(8-18)16-14-15-11(5)7-13(17-14)19-10(3)4/h7,9-10,12,18H,6,8H2,1-5H3,(H,15,16,17).
What are the key properties of 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol?
4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 112637072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).