3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol

C11H20N4O — CID 80842506

IUPAC3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncnc(N)c1C
InChIInChI=1S/C11H20N4O/c1-4-11(16,5-2)6-13-10-8(3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyBELYOJWKDYEMOF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.33
Rot. Bonds5

About 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol

3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol (PubChem CID 80842506) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
PubChem CID80842506
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncnc(N)c1C
InChIInChI=1S/C11H20N4O/c1-4-11(16,5-2)6-13-10-8(3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyBELYOJWKDYEMOF-UHFFFAOYSA-N
XLogP1.33
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol with MolForge

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Related Compounds

1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80840720
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257973
3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102956
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
3-[(6-amino-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80819686
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856
4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
3-[[(6-hydrazinylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80915064
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol (CID 80842506) is 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ncnc(N)c1C.
What is the InChIKey of 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
The InChIKey is BELYOJWKDYEMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-11(16,5-2)6-13-10-8(3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol?
3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol has a molecular weight of 224.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 80842506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).