7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

C19H20Cl2N4 — CID 10199452

IUPAC7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1nc2c(c(N3C(C)C=CC3C)n1)CCN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N4/c1-11-4-5-12(2)25(11)19-15-8-9-24(18(15)22-13(3)23-19)17-7-6-14(20)10-16(17)21/h4-7,10-12H,8-9H2,1-3H3
InChIKeyNMMGPLGOQSTXSD-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.94
Rot. Bonds2

About 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine

7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 10199452) has the molecular formula C19H20Cl2N4 and a molecular weight of 375.30 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID10199452
Molecular FormulaC19H20Cl2N4
Molecular Weight375.30 g/mol
Exact Mass374.11
IUPAC Name7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCc1nc2c(c(N3C(C)C=CC3C)n1)CCN2c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H20Cl2N4/c1-11-4-5-12(2)25(11)19-15-8-9-24(18(15)22-13(3)23-19)17-7-6-14(20)10-16(17)21/h4-7,10-12H,8-9H2,1-3H3
InChIKeyNMMGPLGOQSTXSD-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]propan-1-amine
CID 69463214
7-(2,4-dichlorophenyl)-4-(1,3-diethoxypropan-2-yloxy)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 10224294
4-chloro-7-(2,4-dichlorophenyl)-2-methyl-5-prop-2-enyl-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 87781271
1-[7-(2,4-dichlorophenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
CID 59811519
1-(2,4-dichlorophenyl)-2-methylpyrazolidine
CID 59602826
2,4-dichloro-7-(2,3,4-trifluorophenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 142597884
(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
CID 24763526
[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482816
2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 143932609
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole
CID 4771829
1-(2,4-dichlorophenyl)-4-(4-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036549
7-(2,4-dichlorophenyl)-2-methyl-1,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-3-one
CID 22136290

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 10199452) is 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is Cc1nc2c(c(N3C(C)C=CC3C)n1)CCN2c1ccc(Cl)cc1Cl.
What is the InChIKey of 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is NMMGPLGOQSTXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4/c1-11-4-5-12(2)25(11)19-15-8-9-24(18(15)22-13(3)23-19)17-7-6-14(20)10-16(17)21/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine?
7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 375.30 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-4-(2,5-dimethyl-2,5-dihydropyrrol-1-yl)-2-methyl-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 10199452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).