1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol

C8H13ClN4O — CID 112695149

IUPAC1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
SMILESCCC(O)CNc1ncnc(Cl)c1N
InChIInChI=1S/C8H13ClN4O/c1-2-5(14)3-11-8-6(10)7(9)12-4-13-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyHFSPQEZIGCOYLS-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.89
Rot. Bonds4

About 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol

1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol (PubChem CID 112695149) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
PubChem CID112695149
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
SMILESCCC(O)CNc1ncnc(Cl)c1N
InChIInChI=1S/C8H13ClN4O/c1-2-5(14)3-11-8-6(10)7(9)12-4-13-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyHFSPQEZIGCOYLS-UHFFFAOYSA-N
XLogP0.89
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106243066
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
1-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107154942
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864514
(2S)-1-[(5-chloropyrimidin-2-yl)amino]butan-2-ol
CID 130680092

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol (CID 112695149) is 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol is CCC(O)CNc1ncnc(Cl)c1N.
What is the InChIKey of 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is HFSPQEZIGCOYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-2-5(14)3-11-8-6(10)7(9)12-4-13-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 216.67 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 112695149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).