ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate

C22H37N3O2 — CID 118685052

IUPACethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1NC1(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C22H37N3O2/c1-12-27-17(26)15-13-23-14(2)24-16(15)25-22(11)20(7,8)18(3,4)19(5,6)21(22,9)10/h13H,12H2,1-11H3,(H,23,24,25)
InChIKeyHRLPQVNBZPQEBS-UHFFFAOYSA-N
MW375.56 g/mol
LogP5.25
Rot. Bonds4

About ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate

ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate (PubChem CID 118685052) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate
PubChem CID118685052
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Nameethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C)nc1NC1(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C22H37N3O2/c1-12-27-17(26)15-13-23-14(2)24-16(15)25-22(11)20(7,8)18(3,4)19(5,6)21(22,9)10/h13H,12H2,1-11H3,(H,23,24,25)
InChIKeyHRLPQVNBZPQEBS-UHFFFAOYSA-N
XLogP5.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 108775876
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214814
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 2-chloro-4-[(4-cyano-1-bicyclo[2.2.2]octanyl)amino]pyrimidine-5-carboxylate
CID 156572757
ethyl 2-methyl-4-[methyl(methylsulfonyl)amino]pyrimidine-5-carboxylate
CID 67099878
CID 174042248
CID 174042248
ethyl 2-methyl-4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 108778727
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 4-(chloromethyl)-2-(methylamino)pyrimidine-5-carboxylate
CID 102973317
ethyl 2-methyl-4-[4-[(4-methylpiperidin-1-yl)methyl]anilino]pyrimidine-5-carboxylate
CID 108775541
methyl 4-(hexan-3-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214345

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate (CID 118685052) is ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C)nc1NC1(C)C(C)(C)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate?
The InChIKey is HRLPQVNBZPQEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-12-27-17(26)15-13-23-14(2)24-16(15)25-22(11)20(7,8)18(3,4)19(5,6)21(22,9)10/h13H,12H2,1-11H3,(H,23,24,25).
What are the key properties of ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate?
ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate has a molecular weight of 375.56 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-[(1,2,2,3,3,4,4,5,5-nonamethylcyclopentyl)amino]pyrimidine-5-carboxylate is sourced from PubChem (CID 118685052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).