3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol

C12H22N4O — CID 80852457

IUPAC3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(C)nc(N)c1C
InChIInChI=1S/C12H22N4O/c1-4-10(5-6-17)7-14-12-8(2)11(13)15-9(3)16-12/h10,17H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyJNMDJBKBQXCOPJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.50
Rot. Bonds6

About 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol

3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol (PubChem CID 80852457) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol
PubChem CID80852457
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(C)nc(N)c1C
InChIInChI=1S/C12H22N4O/c1-4-10(5-6-17)7-14-12-8(2)11(13)15-9(3)16-12/h10,17H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyJNMDJBKBQXCOPJ-UHFFFAOYSA-N
XLogP1.50
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118681
4-N-(2-ethylhexyl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 107819112
6-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]hexan-1-ol
CID 114009519
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
4-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentan-1-ol
CID 80852682
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-phenylethanol
CID 80779208
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
4-N-hexyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80836327
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405780
3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 103748507

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol (CID 80852457) is 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1nc(C)nc(N)c1C.
What is the InChIKey of 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
The InChIKey is JNMDJBKBQXCOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10(5-6-17)7-14-12-8(2)11(13)15-9(3)16-12/h10,17H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol?
3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 80852457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).