6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine

C13H18N6 — CID 72919979

IUPAC6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C)n(CCNc2cc(C3CC3)ncn2)n1
InChIInChI=1S/C13H18N6/c1-9-17-10(2)19(18-9)6-5-14-13-7-12(11-3-4-11)15-8-16-13/h7-8,11H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyZTVOMNJSOUNWEZ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.67
Rot. Bonds5

About 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine

6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine (PubChem CID 72919979) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine
PubChem CID72919979
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C)n(CCNc2cc(C3CC3)ncn2)n1
InChIInChI=1S/C13H18N6/c1-9-17-10(2)19(18-9)6-5-14-13-7-12(11-3-4-11)15-8-16-13/h7-8,11H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyZTVOMNJSOUNWEZ-UHFFFAOYSA-N
XLogP1.67
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126427543
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
N-[2-(4-chloropyrazol-1-yl)ethyl]-6-cyclopropylpyrimidin-4-amine
CID 72843204
6-cyclopropyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 72882041
1-N-(6-cyclopropylpyrimidin-4-yl)propane-1,2-diamine
CID 83830261
2-[(6-cyclopropylpyrimidin-4-yl)amino]ethanol;ethyl acetate
CID 174793793
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62567609
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-4-methylaniline
CID 62566821
6-cyclopropyl-N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]pyrimidin-4-amine
CID 138031055
1-[2-[[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-4,6-dimethylpyrimidin-2-one
CID 91784963
4-chloro-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62566822
N-(6-cyclopropylpyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine;ethyl acetate
CID 174793805

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine (CID 72919979) is 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine is Cc1nc(C)n(CCNc2cc(C3CC3)ncn2)n1.
What is the InChIKey of 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ZTVOMNJSOUNWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-17-10(2)19(18-9)6-5-14-13-7-12(11-3-4-11)15-8-16-13/h7-8,11H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine?
6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine has a molecular weight of 258.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 72919979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).