4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one

C9H10ClFN4O — CID 168660996

IUPAC4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C9H10ClFN4O/c10-8-7(11)9(14-4-13-8)15-3-5(2-12)1-6(15)16/h4-5H,1-3,12H2
InChIKeySIENCQMGJOECRY-UHFFFAOYSA-N
MW244.66 g/mol
LogP0.58
Rot. Bonds2

About 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one (PubChem CID 168660996) has the molecular formula C9H10ClFN4O and a molecular weight of 244.66 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
PubChem CID168660996
Molecular FormulaC9H10ClFN4O
Molecular Weight244.66 g/mol
Exact Mass244.05
IUPAC Name4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncnc(Cl)c2F)C1
InChIInChI=1S/C9H10ClFN4O/c10-8-7(11)9(14-4-13-8)15-3-5(2-12)1-6(15)16/h4-5H,1-3,12H2
InChIKeySIENCQMGJOECRY-UHFFFAOYSA-N
XLogP0.58
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.66
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one (CID 168660996) is 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one is NCC1CC(=O)N(c2ncnc(Cl)c2F)C1.
What is the InChIKey of 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
The InChIKey is SIENCQMGJOECRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN4O/c10-8-7(11)9(14-4-13-8)15-3-5(2-12)1-6(15)16/h4-5H,1-3,12H2.
What are the key properties of 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one has a molecular weight of 244.66 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 168660996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).