N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine

C13H18N6 — CID 97205056

IUPACN-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCCn1ncnc1[C@@H](Nc1nccc(C)n1)C1CC1
InChIInChI=1S/C13H18N6/c1-3-19-12(15-8-16-19)11(10-4-5-10)18-13-14-7-6-9(2)17-13/h6-8,10-11H,3-5H2,1-2H3,(H,14,17,18)/t11-/m0/s1
InChIKeyBYZRKTPVVDHLCN-NSHDSACASA-N
MW258.33 g/mol
LogP1.96
Rot. Bonds5

About N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine

N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 97205056) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine
PubChem CID97205056
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC NameN-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine
SMILESCCn1ncnc1[C@@H](Nc1nccc(C)n1)C1CC1
InChIInChI=1S/C13H18N6/c1-3-19-12(15-8-16-19)11(10-4-5-10)18-13-14-7-6-9(2)17-13/h6-8,10-11H,3-5H2,1-2H3,(H,14,17,18)/t11-/m0/s1
InChIKeyBYZRKTPVVDHLCN-NSHDSACASA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine (CID 97205056) is N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine is CCn1ncnc1[C@@H](Nc1nccc(C)n1)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is BYZRKTPVVDHLCN-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N6/c1-3-19-12(15-8-16-19)11(10-4-5-10)18-13-14-7-6-9(2)17-13/h6-8,10-11H,3-5H2,1-2H3,(H,14,17,18)/t11-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine?
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 97205056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).