methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate

C14H21N3O2 — CID 114214096

IUPACmethyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
SMILESCCN(c1nc(C)ncc1C(=O)OC)C1CCCC1
InChIInChI=1S/C14H21N3O2/c1-4-17(11-7-5-6-8-11)13-12(14(18)19-3)9-15-10(2)16-13/h9,11H,4-8H2,1-3H3
InChIKeyPSMZAILGJVXWBK-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds4

About methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate

methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate (PubChem CID 114214096) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
PubChem CID114214096
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
SMILESCCN(c1nc(C)ncc1C(=O)OC)C1CCCC1
InChIInChI=1S/C14H21N3O2/c1-4-17(11-7-5-6-8-11)13-12(14(18)19-3)9-15-10(2)16-13/h9,11H,4-8H2,1-3H3
InChIKeyPSMZAILGJVXWBK-UHFFFAOYSA-N
XLogP2.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[cyclopentyl(2-hydroxyethyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 114214262
methyl 4-[3-hydroxybutyl(methyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214651
methyl 4-cyclohexylsulfanyl-2-methylpyrimidine-5-carboxylate
CID 114214963
methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
CID 114214129
methyl 4-[2-cyanopropyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate
CID 114214253
methyl 4-[(2-hydroxycyclopentyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214491
4-[cyclobutyl(methyl)amino]-2-methylpyrimidine-5-carboxylic acid
CID 115148774
6-chloro-N-cyclopentyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 55229296
methyl 4-(3-cyclopropylpropylamino)-2-methylpyrimidine-5-carboxylate
CID 114214671
4-N-cyclohexyl-4-N-ethyl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80767116
[6-[cyclopentyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80631422
methyl 4-cyclobutyloxy-3-[ethyl(oxan-4-yl)amino]-2-methylbenzoate
CID 175997171

Frequently Asked Questions

What is the IUPAC name of methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate (CID 114214096) is methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate is CCN(c1nc(C)ncc1C(=O)OC)C1CCCC1.
What is the InChIKey of methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate?
The InChIKey is PSMZAILGJVXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-17(11-7-5-6-8-11)13-12(14(18)19-3)9-15-10(2)16-13/h9,11H,4-8H2,1-3H3.
What are the key properties of methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate?
methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[cyclopentyl(ethyl)amino]-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114214096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).