2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol

C9H15ClN4O2 — CID 107864514

IUPAC2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C9H15ClN4O2/c1-2-9(3-15,4-16)14-8-6(11)7(10)12-5-13-8/h5,15-16H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyTULQSLVCNGRHIA-UHFFFAOYSA-N
MW246.70 g/mol
LogP0.26
Rot. Bonds5

About 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol

2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol (PubChem CID 107864514) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
PubChem CID107864514
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
SMILESCCC(CO)(CO)Nc1ncnc(Cl)c1N
InChIInChI=1S/C9H15ClN4O2/c1-2-9(3-15,4-16)14-8-6(11)7(10)12-5-13-8/h5,15-16H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyTULQSLVCNGRHIA-UHFFFAOYSA-N
XLogP0.26
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(3-ethylpentan-3-yl)-5-methylpyrimidin-4-amine
CID 65042609
2-[(6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866444
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864539
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-2-ethylpropane-1,3-diol
CID 114072897
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
2-[(3-chloro-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107866027
2-ethyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)propane-1,3-diol
CID 103738500
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
1-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 112695149
6-chloro-4-N-(2-methylidenebutyl)pyrimidine-4,5-diamine
CID 130631728
4-(2-tert-butylhydrazinyl)-6-chloropyrimidin-5-amine
CID 23477594
2-[(4-chlorophthalazin-1-yl)amino]-2-ethylbutan-1-ol
CID 62521090

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The IUPAC name of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol (CID 107864514) is 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol.
What is the SMILES notation for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The canonical SMILES for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol is CCC(CO)(CO)Nc1ncnc(Cl)c1N.
What is the InChIKey of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
The InChIKey is TULQSLVCNGRHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2/c1-2-9(3-15,4-16)14-8-6(11)7(10)12-5-13-8/h5,15-16H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol?
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol has a molecular weight of 246.70 g/mol, XLogP of 0.26, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol is sourced from PubChem (CID 107864514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).