methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate

C14H21N3O2 — CID 114214129

IUPACmethyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCCC1CCCC1
InChIInChI=1S/C14H21N3O2/c1-10-16-9-12(14(18)19-2)13(17-10)15-8-7-11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyQCCOGKFGHHVCHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.56
Rot. Bonds5

About methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate

methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate (PubChem CID 114214129) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
PubChem CID114214129
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCCC1CCCC1
InChIInChI=1S/C14H21N3O2/c1-10-16-9-12(14(18)19-2)13(17-10)15-8-7-11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyQCCOGKFGHHVCHY-UHFFFAOYSA-N
XLogP2.56
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
CID 114214671
methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214491
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214814
2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
CID 55223076
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
methyl 2-methyl-4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214204
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214096
methyl 4-cyclohexylsulfanyl-2-methylpyrimidine-5-carboxylate
CID 114214963
4-N-(2-cyclopentylethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80790570
methyl 5-amino-2-(3-cyclopentylpropylamino)pyridine-4-carboxylate
CID 106014285
methyl 4-(4-hydroxypentan-2-ylamino)-2-methylpyrimidine-5-carboxylate
CID 114214600

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate (CID 114214129) is methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate is COC(=O)c1cnc(C)nc1NCCC1CCCC1.
What is the InChIKey of methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate?
The InChIKey is QCCOGKFGHHVCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-16-9-12(14(18)19-2)13(17-10)15-8-7-11-5-3-4-6-11/h9,11H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate?
methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114214129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).