2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol

C13H20ClN3O — CID 80970843

IUPAC2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H20ClN3O/c1-3-6-17(7-8-18)13-9(2)11(14)15-12(16-13)10-4-5-10/h10,18H,3-8H2,1-2H3
InChIKeyMRLVXTFOUPDGBZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.52
Rot. Bonds6

About 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol (PubChem CID 80970843) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
PubChem CID80970843
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
SMILESCCCN(CCO)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C13H20ClN3O/c1-3-6-17(7-8-18)13-9(2)11(14)15-12(16-13)10-4-5-10/h10,18H,3-8H2,1-2H3
InChIKeyMRLVXTFOUPDGBZ-UHFFFAOYSA-N
XLogP2.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-2-cyclopropyl-5-methyl-6-piperidin-1-ylpyrimidine
CID 80970589
4-Chloro-2-cyclopropyl-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 80971319
{4-[Allyl(methyl)amino]-6-chloro-2-methylpyrimidin-5-yl}methanol
CID 129874696
6-chloro-2-cyclopropyl-N,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80970245
6-chloro-2-cyclopropyl-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80971416
6-chloro-2-cyclopropyl-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80971615
6-chloro-2-cyclopropyl-N,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80977784
3-[(6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648220
3-[(6-Chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 105648247
3-[(6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-2,2-difluoropropan-1-ol
CID 106178807
2-[(6-Chloro-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482078
2-[(6-Chloro-5-methyl-2-propylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107482089

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol?
The IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol (CID 80970843) is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol is CCCN(CCO)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol?
The InChIKey is MRLVXTFOUPDGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-6-17(7-8-18)13-9(2)11(14)15-12(16-13)10-4-5-10/h10,18H,3-8H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol?
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol has a molecular weight of 269.78 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-propylamino]ethanol is sourced from PubChem (CID 80970843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).