N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide

C18H21FN4O — CID 56789712

IUPACN-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)C1CC1)C(c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C18H21FN4O/c1-22(12-16(24)23(2)15-8-9-15)17(18-20-10-3-11-21-18)13-4-6-14(19)7-5-13/h3-7,10-11,15,17H,8-9,12H2,1-2H3
InChIKeyRXTCMAKVHKAGPN-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.26
Rot. Bonds6

About N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide

N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide (PubChem CID 56789712) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide
PubChem CID56789712
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide
SMILESCN(CC(=O)N(C)C1CC1)C(c1ccc(F)cc1)c1ncccn1
InChIInChI=1S/C18H21FN4O/c1-22(12-16(24)23(2)15-8-9-15)17(18-20-10-3-11-21-18)13-4-6-14(19)7-5-13/h3-7,10-11,15,17H,8-9,12H2,1-2H3
InChIKeyRXTCMAKVHKAGPN-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide (CID 56789712) is N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide is CN(CC(=O)N(C)C1CC1)C(c1ccc(F)cc1)c1ncccn1.
What is the InChIKey of N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide?
The InChIKey is RXTCMAKVHKAGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-22(12-16(24)23(2)15-8-9-15)17(18-20-10-3-11-21-18)13-4-6-14(19)7-5-13/h3-7,10-11,15,17H,8-9,12H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide?
N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide has a molecular weight of 328.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[(4-fluorophenyl)-pyrimidin-2-ylmethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 56789712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).