4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde

C10H11ClN4O2 — CID 168661017

IUPAC4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
SMILESNCC1CC(=O)N(c2ncnc(Cl)c2C=O)C1
InChIInChI=1S/C10H11ClN4O2/c11-9-7(4-16)10(14-5-13-9)15-3-6(2-12)1-8(15)17/h4-6H,1-3,12H2
InChIKeyNZIGLQFKFSOGOJ-UHFFFAOYSA-N
MW254.68 g/mol
LogP0.25
Rot. Bonds3

About 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde

4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde (PubChem CID 168661017) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
PubChem CID168661017
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde
SMILESNCC1CC(=O)N(c2ncnc(Cl)c2C=O)C1
InChIInChI=1S/C10H11ClN4O2/c11-9-7(4-16)10(14-5-13-9)15-3-6(2-12)1-8(15)17/h4-6H,1-3,12H2
InChIKeyNZIGLQFKFSOGOJ-UHFFFAOYSA-N
XLogP0.25
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-(5,6-diaminopyrimidin-4-yl)pyrrolidin-2-one
CID 168661037
4-(aminomethyl)-1-(2,4-dichloro-3-pyridinyl)pyrrolidin-2-one
CID 168660485
1-(6-chloro-5-fluoropyrimidin-4-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509199
4-(aminomethyl)-1-(2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidin-2-one
CID 168661466
4-(bromomethyl)-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168505878
2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4-chloropyridine-3-carbaldehyde
CID 168506365
1-(3-amino-5-chloro-2-pyridinyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168661138
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
4-amino-1-(6-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-2-one
CID 168700907
1-(6-chloro-5-methoxypyrimidin-4-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670229
4-chloro-6-(3-hydroxyazetidin-1-yl)pyrimidine-5-carbaldehyde
CID 130995551
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde?
The IUPAC name of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde (CID 168661017) is 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde?
The canonical SMILES for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde is NCC1CC(=O)N(c2ncnc(Cl)c2C=O)C1.
What is the InChIKey of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde?
The InChIKey is NZIGLQFKFSOGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-9-7(4-16)10(14-5-13-9)15-3-6(2-12)1-8(15)17/h4-6H,1-3,12H2.
What are the key properties of 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde?
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde has a molecular weight of 254.68 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-6-chloropyrimidine-5-carbaldehyde is sourced from PubChem (CID 168661017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).