2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide

C14H20N6O — CID 45497009

IUPAC2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
SMILESCc1nccn1-c1cc(NCCNC(=O)C(C)C)ncn1
InChIInChI=1S/C14H20N6O/c1-10(2)14(21)17-5-4-16-12-8-13(19-9-18-12)20-7-6-15-11(20)3/h6-10H,4-5H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyQFFDVQGQXMFRDN-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.15
Rot. Bonds6

About 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide

2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide (PubChem CID 45497009) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
PubChem CID45497009
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
SMILESCc1nccn1-c1cc(NCCNC(=O)C(C)C)ncn1
InChIInChI=1S/C14H20N6O/c1-10(2)14(21)17-5-4-16-12-8-13(19-9-18-12)20-7-6-15-11(20)3/h6-10H,4-5H2,1-3H3,(H,17,21)(H,16,18,19)
InChIKeyQFFDVQGQXMFRDN-UHFFFAOYSA-N
XLogP1.15
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide (CID 45497009) is 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide is Cc1nccn1-c1cc(NCCNC(=O)C(C)C)ncn1.
What is the InChIKey of 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
The InChIKey is QFFDVQGQXMFRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10(2)14(21)17-5-4-16-12-8-13(19-9-18-12)20-7-6-15-11(20)3/h6-10H,4-5H2,1-3H3,(H,17,21)(H,16,18,19).
What are the key properties of 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide has a molecular weight of 288.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide is sourced from PubChem (CID 45497009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).