5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H19ClN6O — CID 103076972

IUPAC5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCOC(CNc2c(C)c(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H19ClN6O/c1-3-19-4-5-21-10(7-19)6-15-12-9(2)11(14)18-13-16-8-17-20(12)13/h8,10,15H,3-7H2,1-2H3
InChIKeyDHEKKCGNKOEUEO-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.22
Rot. Bonds4

About 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076972) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076972
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN1CCOC(CNc2c(C)c(Cl)nc3ncnn23)C1
InChIInChI=1S/C13H19ClN6O/c1-3-19-4-5-21-10(7-19)6-15-12-9(2)11(14)18-13-16-8-17-20(12)13/h8,10,15H,3-7H2,1-2H3
InChIKeyDHEKKCGNKOEUEO-UHFFFAOYSA-N
XLogP1.22
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076494
5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076662
5-chloro-N-(2-cyclopropylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076734
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076296
1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 103076946
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
3-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
CID 103076746
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 114253529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076972) is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN1CCOC(CNc2c(C)c(Cl)nc3ncnn23)C1.
What is the InChIKey of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DHEKKCGNKOEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6O/c1-3-19-4-5-21-10(7-19)6-15-12-9(2)11(14)18-13-16-8-17-20(12)13/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 310.79 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).