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

C11H16ClN3O3 — CID 114009409

IUPAC2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O3/c12-8-3-9(14-10(13-8)7-1-2-7)15-11(4-16,5-17)6-18/h3,7,16-18H,1-2,4-6H2,(H,13,14,15)
InChIKeyBMIHDVLFKXHRRH-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.14
Rot. Bonds6

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

2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 114009409) has the molecular formula C11H16ClN3O3 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID114009409
Molecular FormulaC11H16ClN3O3
Molecular Weight273.72 g/mol
Exact Mass273.09
IUPAC Name2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)Nc1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C11H16ClN3O3/c12-8-3-9(14-10(13-8)7-1-2-7)15-11(4-16,5-17)6-18/h3,7,16-18H,1-2,4-6H2,(H,13,14,15)
InChIKeyBMIHDVLFKXHRRH-UHFFFAOYSA-N
XLogP0.14
TPSA98.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855136
3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]propan-1-ol
CID 80953184
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80950899
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butan-1-ol
CID 106842916
6-chloro-2-cyclopropyl-N-(2,2-dicyclopropylethyl)pyrimidin-4-amine
CID 80951077
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
2-[(2,6-dichloropyrimidin-4-yl)amino]-2-ethylbutan-1-ol
CID 130252006
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107854334
6-chloro-2-cyclopropyl-N-(3-cyclopropylpropyl)pyrimidin-4-amine
CID 115875632
6-chloro-2-cyclopropyl-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 104952861
N-tert-butyl-2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]acetamide
CID 113293276
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol (CID 114009409) is 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)Nc1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is BMIHDVLFKXHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3/c12-8-3-9(14-10(13-8)7-1-2-7)15-11(4-16,5-17)6-18/h3,7,16-18H,1-2,4-6H2,(H,13,14,15).
What are the key properties of 2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 273.72 g/mol, XLogP of 0.14, 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-cyclopropylpyrimidin-4-yl)amino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 114009409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).