N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H22N6O — CID 33386676

IUPACN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2C[C@H](C)O[C@@H](C)C2)n2ncnc2n1
InChIInChI=1S/C14H22N6O/c1-10-6-13(20-14(18-10)16-9-17-20)15-4-5-19-7-11(2)21-12(3)8-19/h6,9,11-12,15H,4-5,7-8H2,1-3H3/t11-,12-/m0/s1
InChIKeySCFXXDHPIQGUCT-RYUDHWBXSA-N
MW290.37 g/mol
LogP0.95
Rot. Bonds4

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

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 33386676) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID33386676
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCN2C[C@H](C)O[C@@H](C)C2)n2ncnc2n1
InChIInChI=1S/C14H22N6O/c1-10-6-13(20-14(18-10)16-9-17-20)15-4-5-19-7-11(2)21-12(3)8-19/h6,9,11-12,15H,4-5,7-8H2,1-3H3/t11-,12-/m0/s1
InChIKeySCFXXDHPIQGUCT-RYUDHWBXSA-N
XLogP0.95
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 33386676) is N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCN2C[C@H](C)O[C@@H](C)C2)n2ncnc2n1.
What is the InChIKey of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SCFXXDHPIQGUCT-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-6-13(20-14(18-10)16-9-17-20)15-4-5-19-7-11(2)21-12(3)8-19/h6,9,11-12,15H,4-5,7-8H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 290.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 33386676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).