2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

C14H16ClN3O3 — CID 107854334

IUPAC2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3O3/c15-11-6-12(18-14(7-19,8-20)9-21)17-13(16-11)10-4-2-1-3-5-10/h1-6,19-21H,7-9H2,(H,16,17,18)
InChIKeyUXOVUHPRTYKFOR-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.92
Rot. Bonds6

About 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107854334) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107854334
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H16ClN3O3/c15-11-6-12(18-14(7-19,8-20)9-21)17-13(16-11)10-4-2-1-3-5-10/h1-6,19-21H,7-9H2,(H,16,17,18)
InChIKeyUXOVUHPRTYKFOR-UHFFFAOYSA-N
XLogP0.92
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 112559667
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 114009409
4-[(6-chloro-2-phenylpyrimidin-4-yl)amino]pentan-1-ol
CID 115914889
2-[1-[[(6-chloro-2-phenylpyrimidin-4-yl)amino]methyl]cyclopropyl]ethanol
CID 114757208
1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
6-chloro-N-cyclopent-3-en-1-yl-2-phenylpyrimidin-4-amine
CID 106196089
6-chloro-N-(2-ethoxy-2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 114943692
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 115914664
6-chloro-N-pent-4-ynyl-2-phenylpyrimidin-4-amine
CID 106223074
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 115914717
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 115914667

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 107854334) is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)Nc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is UXOVUHPRTYKFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c15-11-6-12(18-14(7-19,8-20)9-21)17-13(16-11)10-4-2-1-3-5-10/h1-6,19-21H,7-9H2,(H,16,17,18).
What are the key properties of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 309.75 g/mol, XLogP of 0.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107854334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).