methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate

C14H22N4O2 — CID 80657147

IUPACmethyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1cc(C)nc(CN2CCCC2C(=O)OC)n1
InChIInChI=1S/C14H22N4O2/c1-4-15-12-8-10(2)16-13(17-12)9-18-7-5-6-11(18)14(19)20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyTVANFMNHAVHWOM-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.35
Rot. Bonds5

About methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate

methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 80657147) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID80657147
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Namemethyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1cc(C)nc(CN2CCCC2C(=O)OC)n1
InChIInChI=1S/C14H22N4O2/c1-4-15-12-8-10(2)16-13(17-12)9-18-7-5-6-11(18)14(19)20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17)
InChIKeyTVANFMNHAVHWOM-UHFFFAOYSA-N
XLogP1.35
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
CID 103055728
N-ethyl-6-methyl-2-[(2-propylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 83061990
4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-N-methylmorpholine-3-carboxamide
CID 83105500
methyl 1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylate
CID 62026541
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 103538592
methyl 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidine-2-carboxylate
CID 115279213
methyl 1-[(2-methylquinolin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 78995219
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771450
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 103502321
methyl 1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 56790676
2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658081

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate (CID 80657147) is methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate is CCNc1cc(C)nc(CN2CCCC2C(=O)OC)n1.
What is the InChIKey of methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is TVANFMNHAVHWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-15-12-8-10(2)16-13(17-12)9-18-7-5-6-11(18)14(19)20-3/h8,11H,4-7,9H2,1-3H3,(H,15,16,17).
What are the key properties of methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 80657147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).