methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate

C13H18N6O2 — CID 102809192

IUPACmethyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
SMILESCCN(CC)c1nn(-c2ccncn2)c(N)c1C(=O)OC
InChIInChI=1S/C13H18N6O2/c1-4-18(5-2)12-10(13(20)21-3)11(14)19(17-12)9-6-7-15-8-16-9/h6-8H,4-5,14H2,1-3H3
InChIKeySSHWBYHLRLZFMD-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.88
Rot. Bonds5

About methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate

methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate (PubChem CID 102809192) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
PubChem CID102809192
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Namemethyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
SMILESCCN(CC)c1nn(-c2ccncn2)c(N)c1C(=O)OC
InChIInChI=1S/C13H18N6O2/c1-4-18(5-2)12-10(13(20)21-3)11(14)19(17-12)9-6-7-15-8-16-9/h6-8H,4-5,14H2,1-3H3
InChIKeySSHWBYHLRLZFMD-UHFFFAOYSA-N
XLogP0.88
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571
methyl 5-amino-3-(cyclopropylmethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
CID 102809181
methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate
CID 103294179
methyl 5-amino-3-(diethylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102809006
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
4-chloro-3-methyl-1-pyrimidin-4-ylpyrazol-5-amine
CID 79816701
methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808924
3,5-diethyl-1-pyrimidin-4-ylpyrazole-4-carboxylic acid
CID 107430910
methyl 2-(diethylamino)-3-nitropyridine-4-carboxylate
CID 165495545
methyl 5-amino-3-(ethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808113
methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103380270
methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
CID 102808860

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate (CID 102809192) is methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate is CCN(CC)c1nn(-c2ccncn2)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate?
The InChIKey is SSHWBYHLRLZFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-4-18(5-2)12-10(13(20)21-3)11(14)19(17-12)9-6-7-15-8-16-9/h6-8H,4-5,14H2,1-3H3.
What are the key properties of methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate?
methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate has a molecular weight of 290.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 102809192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).