4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol

C12H21N3O — CID 103858207

IUPAC4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cnc(NC(CCO)C(C)(C)C)nc1
InChIInChI=1S/C12H21N3O/c1-9-7-13-11(14-8-9)15-10(5-6-16)12(2,3)4/h7-8,10,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyRNXMAMMAGONOJN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.99
Rot. Bonds4

About 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol

4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol (PubChem CID 103858207) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
PubChem CID103858207
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
SMILESCc1cnc(NC(CCO)C(C)(C)C)nc1
InChIInChI=1S/C12H21N3O/c1-9-7-13-11(14-8-9)15-10(5-6-16)12(2,3)4/h7-8,10,16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyRNXMAMMAGONOJN-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-Amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol
CID 122516796
3-[(2-Amino-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366465
5-methyl-N-(oxan-4-yl)pyrimidin-2-amine
CID 63208024
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
5-Pyrimidinecarboxaldehyde, 2-amino-4-[[[1-(hydroxymethyl)cyclobutyl]methyl]amino]-, oxime
CID 9579086
2-Amino-3-(5-methylpyrimidin-2-yl)propan-1-ol
CID 138991302
2-Methyl4-amino-5-oxymethylpyrimidin
CID 21615175
[2-[(5-Bromopyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol
CID 71998147
(3S)-3-[(5-bromopyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 97574532
(1-{[(2,5-Dimethylpyrimidin-4-YL)amino]methyl}cyclopentyl)methanol
CID 122568898
[2-[[(5-Methylpyrimidin-2-yl)amino]methyl]spiro[3.3]heptan-2-yl]methanol
CID 128140099
[1-({Methyl[(2-methylpyrimidin-5-yl)methyl]amino}methyl)cyclobutyl]methanol formate
CID 131933778

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol (CID 103858207) is 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol is Cc1cnc(NC(CCO)C(C)(C)C)nc1.
What is the InChIKey of 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
The InChIKey is RNXMAMMAGONOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-7-13-11(14-8-9)15-10(5-6-16)12(2,3)4/h7-8,10,16H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol?
4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 103858207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).