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

C19H24N4O2 — CID 157030331

IUPACmethyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)C(C(C)C)N(C)c1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C19H24N4O2/c1-12(2)16(19(24)25-4)23(3)18-13-8-7-10-14(13)21-17(22-18)15-9-5-6-11-20-15/h5-6,9,11-12,16H,7-8,10H2,1-4H3
InChIKeySEGVMEXMCZDSEQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.66
Rot. Bonds5

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

methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate (PubChem CID 157030331) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
PubChem CID157030331
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Namemethyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)C(C(C)C)N(C)c1nc(-c2ccccn2)nc2c1CCC2
InChIInChI=1S/C19H24N4O2/c1-12(2)16(19(24)25-4)23(3)18-13-8-7-10-14(13)21-17(22-18)15-9-5-6-11-20-15/h5-6,9,11-12,16H,7-8,10H2,1-4H3
InChIKeySEGVMEXMCZDSEQ-UHFFFAOYSA-N
XLogP2.66
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate (CID 157030331) is methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate is COC(=O)C(C(C)C)N(C)c1nc(-c2ccccn2)nc2c1CCC2.
What is the InChIKey of methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate?
The InChIKey is SEGVMEXMCZDSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)16(19(24)25-4)23(3)18-13-8-7-10-14(13)21-17(22-18)15-9-5-6-11-20-15/h5-6,9,11-12,16H,7-8,10H2,1-4H3.
What are the key properties of methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate?
methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate has a molecular weight of 340.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[methyl-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 157030331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).