2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide

C13H18N6O — CID 86284767

IUPAC2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NC(C)c1cn(C)nc1C
InChIInChI=1S/C13H18N6O/c1-7-10(5-15-13(14)17-7)12(20)16-8(2)11-6-19(4)18-9(11)3/h5-6,8H,1-4H3,(H,16,20)(H2,14,15,17)
InChIKeyWOMHRYKQMPFTRB-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.90
Rot. Bonds3

About 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide

2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 86284767) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide
PubChem CID86284767
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)ncc1C(=O)NC(C)c1cn(C)nc1C
InChIInChI=1S/C13H18N6O/c1-7-10(5-15-13(14)17-7)12(20)16-8(2)11-6-19(4)18-9(11)3/h5-6,8H,1-4H3,(H,16,20)(H2,14,15,17)
InChIKeyWOMHRYKQMPFTRB-UHFFFAOYSA-N
XLogP0.90
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide (CID 86284767) is 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide is Cc1nc(N)ncc1C(=O)NC(C)c1cn(C)nc1C.
What is the InChIKey of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is WOMHRYKQMPFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-7-10(5-15-13(14)17-7)12(20)16-8(2)11-6-19(4)18-9(11)3/h5-6,8H,1-4H3,(H,16,20)(H2,14,15,17).
What are the key properties of 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide?
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 86284767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).