N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine

C12H19N7 — CID 122563504

IUPACN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(C)nc1NCCc1nc(N)n[nH]1
InChIInChI=1S/C12H19N7/c1-4-9-7(2)15-8(3)16-11(9)14-6-5-10-17-12(13)19-18-10/h4-6H2,1-3H3,(H,14,15,16)(H3,13,17,18,19)
InChIKeyYMMWUZLMNNXLEY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine

N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine (PubChem CID 122563504) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine
PubChem CID122563504
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC NameN-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine
SMILESCCc1c(C)nc(C)nc1NCCc1nc(N)n[nH]1
InChIInChI=1S/C12H19N7/c1-4-9-7(2)15-8(3)16-11(9)14-6-5-10-17-12(13)19-18-10/h4-6H2,1-3H3,(H,14,15,16)(H3,13,17,18,19)
InChIKeyYMMWUZLMNNXLEY-UHFFFAOYSA-N
XLogP1.01
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

5-[3-(methylamino)propyl]-1H-1,2,4-triazol-3-amine
CID 61320355
2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium
CID 3364740
5-pentadecyl-1H-1,2,4-triazol-3-amine
CID 6421777
5-hexadecyl-1H-1,2,4-triazol-3-amine
CID 70261193
5-[11-(3-amino-1H-1,2,4-triazol-5-yl)undecyl]-1H-1,2,4-triazol-3-amine
CID 169209981
2,5-diethyl-6-methyl-N-propylpyrimidin-4-amine
CID 62191968
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
5-ethyl-6-methyl-N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-amine
CID 62203983
5-[(Z)-heptadec-8-enyl]-1H-1,2,4-triazol-3-amine
CID 14767757
5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine
CID 125437408
N-[2-(3-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-fluoroaniline
CID 53264336
5-[(2,3,6-trimethylphenoxy)methyl]-1H-1,2,4-triazol-3-amine
CID 7139234

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine (CID 122563504) is N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine is CCc1c(C)nc(C)nc1NCCc1nc(N)n[nH]1.
What is the InChIKey of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine?
The InChIKey is YMMWUZLMNNXLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-4-9-7(2)15-8(3)16-11(9)14-6-5-10-17-12(13)19-18-10/h4-6H2,1-3H3,(H,14,15,16)(H3,13,17,18,19).
What are the key properties of N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine?
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-5-ethyl-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 122563504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).