2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol

C13H23N3O — CID 131952088

IUPAC2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
SMILESCC(C)c1cnc(N(C)CC(C)(C)CO)nc1
InChIInChI=1S/C13H23N3O/c1-10(2)11-6-14-12(15-7-11)16(5)8-13(3,4)9-17/h6-7,10,17H,8-9H2,1-5H3
InChIKeySQRMCABQRYBZMU-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.05
Rot. Bonds5

About 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol

2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol (PubChem CID 131952088) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
PubChem CID131952088
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol
SMILESCC(C)c1cnc(N(C)CC(C)(C)CO)nc1
InChIInChI=1S/C13H23N3O/c1-10(2)11-6-14-12(15-7-11)16(5)8-13(3,4)9-17/h6-7,10,17H,8-9H2,1-5H3
InChIKeySQRMCABQRYBZMU-UHFFFAOYSA-N
XLogP2.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol (CID 131952088) is 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol is CC(C)c1cnc(N(C)CC(C)(C)CO)nc1.
What is the InChIKey of 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is SQRMCABQRYBZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)11-6-14-12(15-7-11)16(5)8-13(3,4)9-17/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol?
2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-(5-propan-2-ylpyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 131952088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).