N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide

C12H18ClN3O2 — CID 114219515

IUPACN-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
SMILESCCCCOCCNC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O2/c1-3-4-6-18-7-5-14-11(17)10-8-9(2)15-12(13)16-10/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyFUYYLJWKJYKARK-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.98
Rot. Bonds7

About N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide

N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide (PubChem CID 114219515) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
PubChem CID114219515
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC NameN-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide
SMILESCCCCOCCNC(=O)c1cc(C)nc(Cl)n1
InChIInChI=1S/C12H18ClN3O2/c1-3-4-6-18-7-5-14-11(17)10-8-9(2)15-12(13)16-10/h8H,3-7H2,1-2H3,(H,14,17)
InChIKeyFUYYLJWKJYKARK-UHFFFAOYSA-N
XLogP1.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide (CID 114219515) is N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide is CCCCOCCNC(=O)c1cc(C)nc(Cl)n1.
What is the InChIKey of N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide?
The InChIKey is FUYYLJWKJYKARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-4-6-18-7-5-14-11(17)10-8-9(2)15-12(13)16-10/h8H,3-7H2,1-2H3,(H,14,17).
What are the key properties of N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide?
N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-2-chloro-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 114219515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).