N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide

C12H18N4O2 — CID 113237997

IUPACN-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C)nc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(18-2)16-12(15-8)14-6-5-13-11(17)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFVMZEUONPOYKNR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.73
Rot. Bonds6

About N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 113237997) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID113237997
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCOc1cc(C)nc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C12H18N4O2/c1-8-7-10(18-2)16-12(15-8)14-6-5-13-11(17)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFVMZEUONPOYKNR-UHFFFAOYSA-N
XLogP0.73
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide (CID 113237997) is N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide is COc1cc(C)nc(NCCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is FVMZEUONPOYKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-7-10(18-2)16-12(15-8)14-6-5-13-11(17)9-3-4-9/h7,9H,3-6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113237997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).