1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

C19H27N5O — CID 118568197

IUPAC1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1ccc(C)c(C2=CC(NCCCN3CCCC3=O)N=C(N)N2)c1
InChIInChI=1S/C19H27N5O/c1-13-6-7-14(2)15(11-13)16-12-17(23-19(20)22-16)21-8-4-10-24-9-3-5-18(24)25/h6-7,11-12,17,21H,3-5,8-10H2,1-2H3,(H3,20,22,23)
InChIKeyAYOOFCWQVVRYAL-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.49
Rot. Bonds6

About 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 118568197) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
PubChem CID118568197
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1ccc(C)c(C2=CC(NCCCN3CCCC3=O)N=C(N)N2)c1
InChIInChI=1S/C19H27N5O/c1-13-6-7-14(2)15(11-13)16-12-17(23-19(20)22-16)21-8-4-10-24-9-3-5-18(24)25/h6-7,11-12,17,21H,3-5,8-10H2,1-2H3,(H3,20,22,23)
InChIKeyAYOOFCWQVVRYAL-UHFFFAOYSA-N
XLogP1.49
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2326268
4-(1-benzyl-5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136881804
4-(1-methyl-5-oxopyrrolidin-3-yl)-2-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136881847
4-(1-methyl-5-oxopyrrolidin-3-yl)-2-[(2-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136881849
2-[(3-fluorophenyl)methylamino]-4-(1-methyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881851
7-[(2,5-Dimethylphenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665822
2-(Dimethylamino)-7-[(3,4-dimethylphenyl)methyl]-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665772
7-[(3,4-Dimethylphenyl)methyl]-2-(4-methylpiperazin-1-YL)-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665828
7-(2,4-dimethylbenzyl)-2-(4-methylpiperazino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136665852
1-[3-[[2-Amino-6-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 118568203
1-[3-[1-[(2,3-Difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]prop-1-en-2-yl]-3-ethenyl-2-methylguanidine
CID 167245738
(3,3-difluorocyclobutyl)-[5-[4-[[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]amino]-2,5,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-dihydroisoindol-2-yl]methanone
CID 170392337

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one (CID 118568197) is 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is Cc1ccc(C)c(C2=CC(NCCCN3CCCC3=O)N=C(N)N2)c1.
What is the InChIKey of 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is AYOOFCWQVVRYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-6-7-14(2)15(11-13)16-12-17(23-19(20)22-16)21-8-4-10-24-9-3-5-18(24)25/h6-7,11-12,17,21H,3-5,8-10H2,1-2H3,(H3,20,22,23).
What are the key properties of 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-amino-6-(2,5-dimethylphenyl)-1,4-dihydropyrimidin-4-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 118568197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).