6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione

C14H16N4O2 — CID 685419

IUPAC6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc(N3CCCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C14H16N4O2/c19-13-9-12(16-14(20)17-13)15-10-3-5-11(6-4-10)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2,(H3,15,16,17,19,20)
InChIKeyUCJOMFLLIPQRRJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.41
Rot. Bonds3

About 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione

6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione (PubChem CID 685419) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione
PubChem CID685419
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Nc2ccc(N3CCCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C14H16N4O2/c19-13-9-12(16-14(20)17-13)15-10-3-5-11(6-4-10)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2,(H3,15,16,17,19,20)
InChIKeyUCJOMFLLIPQRRJ-UHFFFAOYSA-N
XLogP1.41
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(4-piperidin-1-ylanilino)-1H-indazol-3-one
CID 167300637
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110700131
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
6-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 62923074
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
2-[4-[4-(2-methylpropyl)piperazin-1-yl]anilino]-4-propyl-1H-pyrimidin-6-one
CID 136779421
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 3921616
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione (CID 685419) is 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione is O=c1cc(Nc2ccc(N3CCCC3)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is UCJOMFLLIPQRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13-9-12(16-14(20)17-13)15-10-3-5-11(6-4-10)18-7-1-2-8-18/h3-6,9H,1-2,7-8H2,(H3,15,16,17,19,20).
What are the key properties of 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione?
6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 272.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyrrolidin-1-ylanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 685419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).