3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

C10H16ClN3O2 — CID 66169135

IUPAC3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCc1nc(Cl)c(C)c(NCC(C)(O)CO)n1
InChIInChI=1S/C10H16ClN3O2/c1-6-8(11)13-7(2)14-9(6)12-4-10(3,16)5-15/h15-16H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAJJHQBQWKHAYOV-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.90
Rot. Bonds4

About 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol

3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 66169135) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
PubChem CID66169135
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
SMILESCc1nc(Cl)c(C)c(NCC(C)(O)CO)n1
InChIInChI=1S/C10H16ClN3O2/c1-6-8(11)13-7(2)14-9(6)12-4-10(3,16)5-15/h15-16H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAJJHQBQWKHAYOV-UHFFFAOYSA-N
XLogP0.90
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol (CID 66169135) is 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is Cc1nc(Cl)c(C)c(NCC(C)(O)CO)n1.
What is the InChIKey of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is AJJHQBQWKHAYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-6-8(11)13-7(2)14-9(6)12-4-10(3,16)5-15/h15-16H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol?
3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 245.71 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).