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

C13H19N5S — CID 80908255

IUPAC6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1ccc(C)s1
InChIInChI=1S/C13H19N5S/c1-3-4-11-12(16-8-17-13(11)18-14)15-7-10-6-5-9(2)19-10/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGGXDJAAGJWZIOT-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.70
Rot. Bonds6

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

6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine (PubChem CID 80908255) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
PubChem CID80908255
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1ccc(C)s1
InChIInChI=1S/C13H19N5S/c1-3-4-11-12(16-8-17-13(11)18-14)15-7-10-6-5-9(2)19-10/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyGGXDJAAGJWZIOT-UHFFFAOYSA-N
XLogP2.70
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.70
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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Related Compounds

6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine
CID 80897287
5-ethyl-4-N-[(5-methylthiophen-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80818447
6-chloro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 63023616
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 103879890
5-ethyl-6-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80918079
N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80899023
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
5,6-dimethyl-N-[(5-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60964837
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 62057964
5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80907879

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine (CID 80908255) is 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1NCc1ccc(C)s1.
What is the InChIKey of 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine?
The InChIKey is GGXDJAAGJWZIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-3-4-11-12(16-8-17-13(11)18-14)15-7-10-6-5-9(2)19-10/h5-6,8H,3-4,7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine?
6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80908255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).