methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate

C19H22N4O2 — CID 133362775

IUPACmethyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1
InChIInChI=1S/C19H22N4O2/c1-19(18(24)25-2)9-11-23(12-19)17-13-6-5-8-14(13)21-16(22-17)15-7-3-4-10-20-15/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3
InChIKeyDJAMUXLJRKEKSB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.42
Rot. Bonds3

About methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate

methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 133362775) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID133362775
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Namemethyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1
InChIInChI=1S/C19H22N4O2/c1-19(18(24)25-2)9-11-23(12-19)17-13-6-5-8-14(13)21-16(22-17)15-7-3-4-10-20-15/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3
InChIKeyDJAMUXLJRKEKSB-UHFFFAOYSA-N
XLogP2.42
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498856
N-ethyl-N-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-amine
CID 86806537
1-(4-methoxyphenyl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,4-diazepan-2-one
CID 157030319
(3R)-3-methyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 96528652
methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362759
2-pyridin-2-yl-4-[4-(triazol-1-yl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133455675
1-cyclopropyl-5-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 75372045
methyl 2,2,3-trimethyl-3-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
CID 133350088
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-2-one
CID 133336812
methyl 1-(6-amino-2-pyridinyl)-3-methylpyrrolidine-3-carboxylate
CID 156540993
1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 157029786
2,3-dimethyl-4-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 133309137

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate (CID 133362775) is methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(c2nc(-c3ccccn3)nc3c2CCC3)C1.
What is the InChIKey of methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is DJAMUXLJRKEKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(18(24)25-2)9-11-23(12-19)17-13-6-5-8-14(13)21-16(22-17)15-7-3-4-10-20-15/h3-4,7,10H,5-6,8-9,11-12H2,1-2H3.
What are the key properties of methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate?
methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 133362775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).