4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

C22H26Cl2N6O2 — CID 164627715

IUPAC4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CC1
InChIInChI=1S/C22H26Cl2N6O2/c23-15-4-7-18(24)14(11-15)12-26-22-27-13-17(20(29-22)28-16-5-6-16)21(32)25-8-2-10-30-9-1-3-19(30)31/h4,7,11,13,16H,1-3,5-6,8-10,12H2,(H,25,32)(H2,26,27,28,29)
InChIKeyQWINAFZLCXMYIY-UHFFFAOYSA-N
MW477.40 g/mol
LogP3.71
Rot. Bonds10

About 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (PubChem CID 164627715) has the molecular formula C22H26Cl2N6O2 and a molecular weight of 477.40 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
PubChem CID164627715
Molecular FormulaC22H26Cl2N6O2
Molecular Weight477.40 g/mol
Exact Mass476.15
IUPAC Name4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CC1
InChIInChI=1S/C22H26Cl2N6O2/c23-15-4-7-18(24)14(11-15)12-26-22-27-13-17(20(29-22)28-16-5-6-16)21(32)25-8-2-10-30-9-1-3-19(30)31/h4,7,11,13,16H,1-3,5-6,8-10,12H2,(H,25,32)(H2,26,27,28,29)
InChIKeyQWINAFZLCXMYIY-UHFFFAOYSA-N
XLogP3.71
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 71552866
4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 71552784
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
4-chloro-2-fluoro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46521635
2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 70740259
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8787363
1-(3-chlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30892237
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
1-[3-[[5-bromo-2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 59354660
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (CID 164627715) is 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The InChIKey is QWINAFZLCXMYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N6O2/c23-15-4-7-18(24)14(11-15)12-26-22-27-13-17(20(29-22)28-16-5-6-16)21(32)25-8-2-10-30-9-1-3-19(30)31/h4,7,11,13,16H,1-3,5-6,8-10,12H2,(H,25,32)(H2,26,27,28,29).
What are the key properties of 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide has a molecular weight of 477.40 g/mol, XLogP of 3.71, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 164627715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).