4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol

C13H23N3O — CID 107151555

IUPAC4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
SMILESCc1nccc(CNCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10-15-6-5-11(16-10)8-14-9-12(17)7-13(2,3)4/h5-6,12,14,17H,7-9H2,1-4H3
InChIKeyNFTXRMOYAVSYFB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds5

About 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol

4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol (PubChem CID 107151555) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
PubChem CID107151555
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
SMILESCc1nccc(CNCC(O)CC(C)(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10-15-6-5-11(16-10)8-14-9-12(17)7-13(2,3)4/h5-6,12,14,17H,7-9H2,1-4H3
InChIKeyNFTXRMOYAVSYFB-UHFFFAOYSA-N
XLogP1.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol
CID 106284785
1-(4-chlorophenoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970538
2-hydroxy-3-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 106171849
1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970855
tert-butyl N-[1-[(2-methylpyrimidin-4-yl)methylamino]propan-2-yl]carbamate
CID 107247937
N'-tert-butyl-N-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 107445412
2-methyl-2-[[(2-methylpyrimidin-4-yl)methylamino]methyl]butan-1-ol
CID 81419018
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
1-(dimethylamino)-2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 106145720
tert-butyl 2-[(2-methylpyrimidin-4-yl)methylamino]acetate
CID 61016078
tert-butyl N-methyl-N-[2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]propyl]carbamate
CID 107246776

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol (CID 107151555) is 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol is Cc1nccc(CNCC(O)CC(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
The InChIKey is NFTXRMOYAVSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-15-6-5-11(16-10)8-14-9-12(17)7-13(2,3)4/h5-6,12,14,17H,7-9H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol?
4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol has a molecular weight of 237.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(2-methylpyrimidin-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 107151555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).