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

C8H13ClN4O — CID 64927663

IUPAC4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ncnc(Cl)c1N
InChIInChI=1S/C8H13ClN4O/c1-5(14)2-3-11-8-6(10)7(9)12-4-13-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyNEIVAWAZROZCCF-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.89
Rot. Bonds4

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

4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol (PubChem CID 64927663) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
PubChem CID64927663
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
SMILESCC(O)CCNc1ncnc(Cl)c1N
InChIInChI=1S/C8H13ClN4O/c1-5(14)2-3-11-8-6(10)7(9)12-4-13-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyNEIVAWAZROZCCF-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]-1-methoxybutan-2-ol
CID 106243066
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]butan-2-ol
CID 103669518
4-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80841124
6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
CID 63925085
6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
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

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol (CID 64927663) is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol is CC(O)CCNc1ncnc(Cl)c1N.
What is the InChIKey of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is NEIVAWAZROZCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5(14)2-3-11-8-6(10)7(9)12-4-13-8/h4-5,14H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol?
4-[(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 4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 64927663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).