2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol

C12H21N3O — CID 81419018

IUPAC2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1ccnc(C)n1
InChIInChI=1S/C12H21N3O/c1-4-12(3,9-16)8-13-7-11-5-6-14-10(2)15-11/h5-6,13,16H,4,7-9H2,1-3H3
InChIKeyAOECPDHFOCLNAS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.28
Rot. Bonds6

About 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol

2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol (PubChem CID 81419018) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
PubChem CID81419018
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
SMILESCCC(C)(CO)CNCc1ccnc(C)n1
InChIInChI=1S/C12H21N3O/c1-4-12(3,9-16)8-13-7-11-5-6-14-10(2)15-11/h5-6,13,16H,4,7-9H2,1-3H3
InChIKeyAOECPDHFOCLNAS-UHFFFAOYSA-N
XLogP1.28
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 106145720
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
4-methoxy-2-methyl-1-[(2-methylpyrimidin-4-yl)methylamino]butan-2-ol
CID 114164015
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 106284785
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 107151555
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81418951
2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
CID 115751882
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
2-[[(4-ethylphenyl)methylamino]methyl]-2-methylbutan-1-ol
CID 103828079
N-[(2-methylpyrimidin-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 116615427
N-butan-2-yl-2-[(2-methylpyrimidin-4-yl)methylamino]acetamide
CID 54901886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol (CID 81419018) is 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol is CCC(C)(CO)CNCc1ccnc(C)n1.
What is the InChIKey of 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol?
The InChIKey is AOECPDHFOCLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-12(3,9-16)8-13-7-11-5-6-14-10(2)15-11/h5-6,13,16H,4,7-9H2,1-3H3.
What are the key properties of 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol?
2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol is sourced from PubChem (CID 81419018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).