methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate

C10H11N5O2 — CID 66286447

IUPACmethyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCc2ccn[nH]2)n1
InChIInChI=1S/C10H11N5O2/c1-17-10(16)9-11-4-3-8(14-9)12-6-7-2-5-13-15-7/h2-5H,6H2,1H3,(H,13,15)(H,11,12,14)
InChIKeyCHAINEACMHIWCE-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.60
Rot. Bonds4

About methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate

methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate (PubChem CID 66286447) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate
PubChem CID66286447
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Namemethyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCc2ccn[nH]2)n1
InChIInChI=1S/C10H11N5O2/c1-17-10(16)9-11-4-3-8(14-9)12-6-7-2-5-13-15-7/h2-5H,6H2,1H3,(H,13,15)(H,11,12,14)
InChIKeyCHAINEACMHIWCE-UHFFFAOYSA-N
XLogP0.60
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284657
methyl 4-[(3-methoxy-3-oxopropyl)amino]pyrimidine-2-carboxylate
CID 66285632
2-[[(2-methoxycarbonylpyrimidin-4-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324453
methyl 4-[(2,4-difluorophenyl)methylamino]pyrimidine-2-carboxylate
CID 66285457
methyl 4-[(4-hydroxy-2,2-dimethylbutyl)amino]pyrimidine-2-carboxylate
CID 114149569
methyl 4-(pent-3-ynylamino)pyrimidine-2-carboxylate
CID 116644639
methyl 4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrimidine-2-carboxylate
CID 106254630
methyl 4-(2,2-dicyclopropylethylamino)pyrimidine-2-carboxylate
CID 66285080
methyl 4-[2-(dimethylcarbamoylamino)ethylamino]pyrimidine-2-carboxylate
CID 83114374
4-[(2-methoxycarbonylpyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 81066836
2-[4-[[(2-methoxycarbonylpyrimidin-4-yl)amino]methyl]triazol-1-yl]acetic acid
CID 115457843
2-[(2-methoxycarbonylpyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 79792394

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate (CID 66286447) is methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate is COC(=O)c1nccc(NCc2ccn[nH]2)n1.
What is the InChIKey of methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate?
The InChIKey is CHAINEACMHIWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-17-10(16)9-11-4-3-8(14-9)12-6-7-2-5-13-15-7/h2-5H,6H2,1H3,(H,13,15)(H,11,12,14).
What are the key properties of methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate?
methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1H-pyrazol-5-ylmethylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66286447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).