N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine

C12H18N6 — CID 114690973

IUPACN-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cnnn2C)c1C(C)C
InChIInChI=1S/C12H18N6/c1-5-13-12-10(8(2)3)11(14-7-15-12)9-6-16-17-18(9)4/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyYVTVSICLOORVFD-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.83
Rot. Bonds4

About N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 114690973) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID114690973
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC NameN-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(-c2cnnn2C)c1C(C)C
InChIInChI=1S/C12H18N6/c1-5-13-12-10(8(2)3)11(14-7-15-12)9-6-16-17-18(9)4/h6-8H,5H2,1-4H3,(H,13,14,15)
InChIKeyYVTVSICLOORVFD-UHFFFAOYSA-N
XLogP1.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-methyl-6-(3-methyltriazol-4-yl)pyrimidin-4-amine
CID 114690953
N-ethyl-6-imidazo[1,2-a]pyridin-5-yl-5-propan-2-ylpyrimidin-4-amine
CID 102627295
N-ethyl-6-(3-fluoro-4-pyridinyl)-5-propan-2-ylpyrimidin-4-amine
CID 104739313
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
N-ethyl-5-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784414
6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 115503721
N-ethyl-5-methoxy-6-(3-propyltriazol-4-yl)pyrimidin-4-amine
CID 114691125
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80779051
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
6-N-ethyl-4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106304510
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 80771693
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine (CID 114690973) is N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(-c2cnnn2C)c1C(C)C.
What is the InChIKey of N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is YVTVSICLOORVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-5-13-12-10(8(2)3)11(14-7-15-12)9-6-16-17-18(9)4/h6-8H,5H2,1-4H3,(H,13,14,15).
What are the key properties of N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methyltriazol-4-yl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 114690973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).