1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C18H21ClN4O2 — CID 16764324

IUPAC1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1c(Cl)cccc1-n1c2c(c(=O)[nH]c1=O)CN(C1CCCC1)CN2
InChIInChI=1S/C18H21ClN4O2/c1-11-14(19)7-4-8-15(11)23-16-13(17(24)21-18(23)25)9-22(10-20-16)12-5-2-3-6-12/h4,7-8,12,20H,2-3,5-6,9-10H2,1H3,(H,21,24,25)
InChIKeyOWPHDKYYZBVTSC-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.62
Rot. Bonds2

About 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 16764324) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID16764324
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCc1c(Cl)cccc1-n1c2c(c(=O)[nH]c1=O)CN(C1CCCC1)CN2
InChIInChI=1S/C18H21ClN4O2/c1-11-14(19)7-4-8-15(11)23-16-13(17(24)21-18(23)25)9-22(10-20-16)12-5-2-3-6-12/h4,7-8,12,20H,2-3,5-6,9-10H2,1H3,(H,21,24,25)
InChIKeyOWPHDKYYZBVTSC-UHFFFAOYSA-N
XLogP2.62
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(3-chloro-2-methylphenyl)-6-propan-2-yl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 16764332
1-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 16764326
1-[(2-chlorophenyl)methyl]-6-cyclohexyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 7711053
6-[(2S)-butan-2-yl]-1-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
CID 7659940
6-cyclohexyl-1-(2,3-dimethylphenyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione
CID 7711016
1-(2,3-dimethylphenyl)-6-(pyridin-3-ylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
CID 17087961
1-(3-chloro-2-methylphenyl)-1,5-diazocan-2-one
CID 117014427
2-(3-chloro-2-methylphenyl)-3-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79917891
1-(3-chlorophenyl)-6-cyclohexyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-ium-2,4-dione
CID 7680082
1-(3-chloro-2-methylphenyl)-3-cyclopropylpiperazine-2,5-dione
CID 64962241
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
1-(3-chloro-2-methylphenyl)-3-cyclohexyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3943504

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 16764324) is 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is Cc1c(Cl)cccc1-n1c2c(c(=O)[nH]c1=O)CN(C1CCCC1)CN2.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is OWPHDKYYZBVTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-11-14(19)7-4-8-15(11)23-16-13(17(24)21-18(23)25)9-22(10-20-16)12-5-2-3-6-12/h4,7-8,12,20H,2-3,5-6,9-10H2,1H3,(H,21,24,25).
What are the key properties of 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 360.85 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-6-cyclopentyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 16764324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).