methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate

C12H19N3O2 — CID 113470480

IUPACmethyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
SMILESCCC(C)(C)Nc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O2/c1-6-12(3,4)15-9-7-8(2)13-10(14-9)11(16)17-5/h7H,6H2,1-5H3,(H,13,14,15)
InChIKeyKIQNIXPNIMAPEO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds4

About methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate

methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate (PubChem CID 113470480) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
PubChem CID113470480
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate
SMILESCCC(C)(C)Nc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C12H19N3O2/c1-6-12(3,4)15-9-7-8(2)13-10(14-9)11(16)17-5/h7H,6H2,1-5H3,(H,13,14,15)
InChIKeyKIQNIXPNIMAPEO-UHFFFAOYSA-N
XLogP2.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 66284573
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925
methyl 4-(3-ethoxypropylamino)-6-methylpyrimidine-2-carboxylate
CID 66285017
methyl 4-methyl-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyrimidine-2-carboxylate
CID 113479026
methyl 4-(6-hydroxyhexylamino)-6-methylpyrimidine-2-carboxylate
CID 107848843
6-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]hexanoic acid
CID 66288196
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
methyl 4-(1-hydroxybutan-2-ylamino)-6-methylpyrimidine-2-carboxylate
CID 66285830
methyl 4-[2-(azepan-1-yl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285238

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate (CID 113470480) is methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate is CCC(C)(C)Nc1cc(C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
The InChIKey is KIQNIXPNIMAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-6-12(3,4)15-9-7-8(2)13-10(14-9)11(16)17-5/h7H,6H2,1-5H3,(H,13,14,15).
What are the key properties of methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate?
methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-(2-methylbutan-2-ylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 113470480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).