6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine

C13H19N5 — CID 145343959

IUPAC6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine
SMILESC/C=C(\C)C1=NC(Nc2ccnn2C)=NCC1C
InChIInChI=1S/C13H19N5/c1-5-9(2)12-10(3)8-14-13(17-12)16-11-6-7-15-18(11)4/h5-7,10H,8H2,1-4H3,(H,14,16)/b9-5+
InChIKeyXRRAFMYANZJXLD-WEVVVXLNSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds2

About 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine

6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine (PubChem CID 145343959) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine
PubChem CID145343959
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine
SMILESC/C=C(\C)C1=NC(Nc2ccnn2C)=NCC1C
InChIInChI=1S/C13H19N5/c1-5-9(2)12-10(3)8-14-13(17-12)16-11-6-7-15-18(11)4/h5-7,10H,8H2,1-4H3,(H,14,16)/b9-5+
InChIKeyXRRAFMYANZJXLD-WEVVVXLNSA-N
XLogP2.24
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-ethyl-2-N-(1-methylpyrazol-3-yl)-5-(trifluoromethyl)-1H-pyrimidine-2,4-diamine
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CID 69989916
2-(1-Methyl-5-propan-2-ylcyclohex-3-en-1-yl)pyrazol-3-amine
CID 89482608
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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine (CID 145343959) is 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine is C/C=C(\C)C1=NC(Nc2ccnn2C)=NCC1C.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine?
The InChIKey is XRRAFMYANZJXLD-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-9(2)12-10(3)8-14-13(17-12)16-11-6-7-15-18(11)4/h5-7,10H,8H2,1-4H3,(H,14,16)/b9-5+.
What are the key properties of 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine?
6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-en-2-yl]-5-methyl-N-(2-methylpyrazol-3-yl)-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 145343959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).