ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate

C14H23N3O2 — CID 83179670

IUPACethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C(C)CC)nc1C
InChIInChI=1S/C14H23N3O2/c1-6-9(3)10(4)16-14-15-8-12(11(5)17-14)13(18)19-7-2/h8-10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyPJKVWFXQPGOHLT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.81
Rot. Bonds6

About ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate (PubChem CID 83179670) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
PubChem CID83179670
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nameethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(C)C(C)CC)nc1C
InChIInChI=1S/C14H23N3O2/c1-6-9(3)10(4)16-14-15-8-12(11(5)17-14)13(18)19-7-2/h8-10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyPJKVWFXQPGOHLT-UHFFFAOYSA-N
XLogP2.81
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83179837
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 2-(butan-2-ylcarbamothioylamino)-4-methylpyrimidine-5-carboxylate
CID 133203168
2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)amino]pent-4-enoic acid
CID 83179981
ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
CID 83178981
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate
CID 115967564
ethyl 2-[3-(aminomethyl)pentan-3-ylamino]-4-methylpyrimidine-5-carboxylate
CID 83182064
ethyl 2-(3-methylpentan-2-ylamino)pyridine-3-carboxylate
CID 54950402
ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178152
ethyl 2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178579
ethyl 4-methyl-2-(3-methylsulfinylbutylamino)pyrimidine-5-carboxylate
CID 115967587

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate (CID 83179670) is ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC(C)C(C)CC)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate?
The InChIKey is PJKVWFXQPGOHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-9(3)10(4)16-14-15-8-12(11(5)17-14)13(18)19-7-2/h8-10H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 83179670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).