2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C13H17N5O — CID 106472822

IUPAC2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCn1cc(-c2nc3c(c(NC)n2)COCC3)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-7-9(6-15-18)12-16-11-4-5-19-8-10(11)13(14-2)17-12/h6-7H,3-5,8H2,1-2H3,(H,14,16,17)
InChIKeyLKELUYNFCYUPLC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472822) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472822
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCn1cc(-c2nc3c(c(NC)n2)COCC3)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-7-9(6-15-18)12-16-11-4-5-19-8-10(11)13(14-2)17-12/h6-7H,3-5,8H2,1-2H3,(H,14,16,17)
InChIKeyLKELUYNFCYUPLC-UHFFFAOYSA-N
XLogP1.47
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[4-(difluoromethyl)phenyl]-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472817
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
N-methyl-2-(1-methylpyrazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351822
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472790
2-imidazo[1,2-a]pyridin-2-yl-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472796
[2-(1-propylpyrazol-4-yl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 103573096
N-ethyl-2-(1-ethylpyrazol-4-yl)-5-iodo-6-propylpyrimidin-4-amine
CID 103570534
2-tert-butyl-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472086
N-ethyl-2-(4-methylsulfanylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472694
2-(1-ethylpyrazol-4-yl)-N-methylpyrimidin-4-amine
CID 103570484
2-(1,5-dimethylpyrazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472668
2-(3-ethylimidazol-4-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472648

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472822) is 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCn1cc(-c2nc3c(c(NC)n2)COCC3)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is LKELUYNFCYUPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-7-9(6-15-18)12-16-11-4-5-19-8-10(11)13(14-2)17-12/h6-7H,3-5,8H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).