6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine

C14H21N5S — CID 81007066

IUPAC6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCc2sccc2C)n1
InChIInChI=1S/C14H21N5S/c1-4-5-12-17-13(10(3)14(18-12)19-15)16-8-11-9(2)6-7-20-11/h6-7H,4-5,8,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyNICCHWYXKAMTLG-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.01
Rot. Bonds6

About 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine

6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine (PubChem CID 81007066) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
PubChem CID81007066
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NN)c(C)c(NCc2sccc2C)n1
InChIInChI=1S/C14H21N5S/c1-4-5-12-17-13(10(3)14(18-12)19-15)16-8-11-9(2)6-7-20-11/h6-7H,4-5,8,15H2,1-3H3,(H2,16,17,18,19)
InChIKeyNICCHWYXKAMTLG-UHFFFAOYSA-N
XLogP3.01
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine (CID 81007066) is 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine is CCCc1nc(NN)c(C)c(NCc2sccc2C)n1.
What is the InChIKey of 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
The InChIKey is NICCHWYXKAMTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-5-12-17-13(10(3)14(18-12)19-15)16-8-11-9(2)6-7-20-11/h6-7H,4-5,8,15H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine?
6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine has a molecular weight of 291.42 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-methyl-N-[(3-methylthiophen-2-yl)methyl]-2-propylpyrimidin-4-amine is sourced from PubChem (CID 81007066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).