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

C12H18ClN3O — CID 80969941

IUPAC2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C12H18ClN3O/c1-3-16(6-7-17)12-8(2)10(13)14-11(15-12)9-4-5-9/h9,17H,3-7H2,1-2H3
InChIKeyTZDMBKGOUCFYDU-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.13
Rot. Bonds5

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

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 80969941) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol
PubChem CID80969941
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C12H18ClN3O/c1-3-16(6-7-17)12-8(2)10(13)14-11(15-12)9-4-5-9/h9,17H,3-7H2,1-2H3
InChIKeyTZDMBKGOUCFYDU-UHFFFAOYSA-N
XLogP2.13
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.13
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)-ethylamino]ethanol?
The IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol (CID 80969941) is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is TZDMBKGOUCFYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-16(6-7-17)12-8(2)10(13)14-11(15-12)9-4-5-9/h9,17H,3-7H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol?
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 255.75 g/mol, XLogP of 2.13, 5 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)-ethylamino]ethanol is sourced from PubChem (CID 80969941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).