4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

C12H21N3O — CID 115658287

IUPAC4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3O/c1-9(2)11-7-12(14-8-13-11)15(4)6-5-10(3)16/h7-10,16H,5-6H2,1-4H3
InChIKeyHRYFOGIKMGRQAN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.81
Rot. Bonds5

About 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol

4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 115658287) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID115658287
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCN(C)c1cc(C(C)C)ncn1
InChIInChI=1S/C12H21N3O/c1-9(2)11-7-12(14-8-13-11)15(4)6-5-10(3)16/h7-10,16H,5-6H2,1-4H3
InChIKeyHRYFOGIKMGRQAN-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromopropyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 80671924
4-[methyl-(4-methyl-2-pyridinyl)amino]butan-2-ol
CID 115695412
2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 61241523
N'-hydroxy-2-methyl-3-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanimidamide
CID 54992328
2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
CID 62637012
4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464720
4-[methyl(pyridin-4-yl)amino]butan-2-ol
CID 115745235
N-(2-chloroethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 63392292
5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
4-[methyl(quinazolin-4-yl)amino]butan-2-ol
CID 115658266
N'-cyclopropyl-N'-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 63761565
1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine
CID 113285625

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol (CID 115658287) is 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is CC(O)CCN(C)c1cc(C(C)C)ncn1.
What is the InChIKey of 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is HRYFOGIKMGRQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)11-7-12(14-8-13-11)15(4)6-5-10(3)16/h7-10,16H,5-6H2,1-4H3.
What are the key properties of 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol?
4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 115658287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).