[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol

C12H21N3O — CID 83185065

IUPAC[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
SMILESCCCN(c1ncc(CO)c(C)n1)C(C)C
InChIInChI=1S/C12H21N3O/c1-5-6-15(9(2)3)12-13-7-11(8-16)10(4)14-12/h7,9,16H,5-6,8H2,1-4H3
InChIKeyNXULMHHBWYKXCP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds5

About [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol

[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol (PubChem CID 83185065) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
PubChem CID83185065
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol
SMILESCCCN(c1ncc(CO)c(C)n1)C(C)C
InChIInChI=1S/C12H21N3O/c1-5-6-15(9(2)3)12-13-7-11(8-16)10(4)14-12/h7,9,16H,5-6,8H2,1-4H3
InChIKeyNXULMHHBWYKXCP-UHFFFAOYSA-N
XLogP1.90
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dimethyl-5-pyrimidinemethanol
CID 98784
(4-Methylpyrimidin-5-yl)methanol
CID 24903630
1-(2,4-Dimethylpyrimidin-5-yl)ethan-1-ol
CID 54772446
(2-Methoxy-4-methylpyrimidin-5-yl)methanol
CID 83184643
(1S)-1-(4-methylpyrimidin-5-yl)ethan-1-ol
CID 91647671
(4-Methyl-2-(methylthio)pyrimidin-5-yl)methanol
CID 15063003
1-(2-Methylpyrimidin-5-yl)ethanol
CID 54772447
2-[4-(4,5-Dimethylpyrimidin-2-yl)-1,4-diazepan-1-yl]ethanol
CID 121530418
5-Pyrimidinemethanol, alpha-methyl-4-(trifluoromethyl)-
CID 19074096
[2-Methylsulfanyl-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 21220617
(2-Amino-4-(trifluoromethyl)pyrimidin-5-yl)methanol
CID 55295966
(2-Methyl-4-(trifluoromethyl)pyrimidin-5-yl)methanol
CID 71748509

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol?
The IUPAC name of [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol (CID 83185065) is [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol?
The canonical SMILES for [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol is CCCN(c1ncc(CO)c(C)n1)C(C)C.
What is the InChIKey of [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol?
The InChIKey is NXULMHHBWYKXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-6-15(9(2)3)12-13-7-11(8-16)10(4)14-12/h7,9,16H,5-6,8H2,1-4H3.
What are the key properties of [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol?
[4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[propan-2-yl(propyl)amino]pyrimidin-5-yl]methanol is sourced from PubChem (CID 83185065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).