methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate

C10H15N3O2 — CID 66287417

IUPACmethyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
SMILESCCC(C)Nc1ccnc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O2/c1-4-7(2)12-8-5-6-11-9(13-8)10(14)15-3/h5-7H,4H2,1-3H3,(H,11,12,13)
InChIKeyFMKIMRSTXGOICU-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.47
Rot. Bonds4

About methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate

methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate (PubChem CID 66287417) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
PubChem CID66287417
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate
SMILESCCC(C)Nc1ccnc(C(=O)OC)n1
InChIInChI=1S/C10H15N3O2/c1-4-7(2)12-8-5-6-11-9(13-8)10(14)15-3/h5-7H,4H2,1-3H3,(H,11,12,13)
InChIKeyFMKIMRSTXGOICU-UHFFFAOYSA-N
XLogP1.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(1-methylsulfonylpropan-2-ylamino)pyrimidine-2-carboxylate
CID 66286282
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
methyl 4-(dicyclopropylmethylamino)pyrimidine-2-carboxylate
CID 66285647
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
CID 107816442
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394
methyl 4-propan-2-ylpyrimidine-2-carboxylate
CID 59618477
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
methyl 4-(4-propan-2-yloxybutylamino)pyrimidine-2-carboxylate
CID 106012538
methyl 4-[(3-ethyl-2-pyridinyl)methylamino]pyrimidine-2-carboxylate
CID 82739095

Frequently Asked Questions

What is the IUPAC name of methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate (CID 66287417) is methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate is CCC(C)Nc1ccnc(C(=O)OC)n1.
What is the InChIKey of methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate?
The InChIKey is FMKIMRSTXGOICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-7(2)12-8-5-6-11-9(13-8)10(14)15-3/h5-7H,4H2,1-3H3,(H,11,12,13).
What are the key properties of methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate?
methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(butan-2-ylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66287417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).