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

C8H13ClN4O2 — CID 79880391

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C8H13ClN4O2/c1-8(3-14,4-15)13-6-2-5(9)11-7(10)12-6/h2,14-15H,3-4H2,1H3,(H3,10,11,12,13)
InChIKeyCPUCRHQXRDQHGK-UHFFFAOYSA-N
MW232.67 g/mol
LogP-0.13
Rot. Bonds4

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

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol (PubChem CID 79880391) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
PubChem CID79880391
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C8H13ClN4O2/c1-8(3-14,4-15)13-6-2-5(9)11-7(10)12-6/h2,14-15H,3-4H2,1H3,(H3,10,11,12,13)
InChIKeyCPUCRHQXRDQHGK-UHFFFAOYSA-N
XLogP-0.13
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol with MolForge

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Related Compounds

2-((2-Amino-6-chloropyrimidin-4-yl)amino)ethanol
CID 235898
4-[(2-Amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 358991
3-((2-Amino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol
CID 385209
(3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-oxetanyl)methanol
CID 385214
3-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]propan-1-ol
CID 500506
2-((6-Chloro-2-methyl-4-pyrimidinyl)amino)-1-ethanol
CID 25918906
6-Chloro-2-(methoxymethyl)pyrimidin-4-amine
CID 55264672
(1-((2-Amino-6-chloro-4-pyrimidinyl)amino)cyclobutyl)methanol
CID 385208
3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propane-1,2-diol
CID 358990
(4-(Tert-butylamino)-6-fluoropyrimidin-2-yl)methanol
CID 118936922
2-[(2,6-Dichloropyrimidin-4-yl)amino]ethanol
CID 11820356
3-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylpentan-1-ol
CID 106178774

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol (CID 79880391) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol is CC(CO)(CO)Nc1cc(Cl)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol?
The InChIKey is CPUCRHQXRDQHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-8(3-14,4-15)13-6-2-5(9)11-7(10)12-6/h2,14-15H,3-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol has a molecular weight of 232.67 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 79880391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).