6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine

C12H18N6S — CID 80897287

IUPAC6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1cnc(C)s1
InChIInChI=1S/C12H18N6S/c1-3-4-10-11(16-7-17-12(10)18-13)15-6-9-5-14-8(2)19-9/h5,7H,3-4,6,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyWVHBAENEVXOGRL-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.09
Rot. Bonds6

About 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine

6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine (PubChem CID 80897287) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine
PubChem CID80897287
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1cnc(C)s1
InChIInChI=1S/C12H18N6S/c1-3-4-10-11(16-7-17-12(10)18-13)15-6-9-5-14-8(2)19-9/h5,7H,3-4,6,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyWVHBAENEVXOGRL-UHFFFAOYSA-N
XLogP2.09
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 80908255
6-N,5-diethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80807701
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propyl-1,3-thiazol-2-amine
CID 104599843
6-N-methyl-4-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80818107
N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80899023
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
6-hydrazinyl-N,N-dimethyl-5-propylpyrimidin-4-amine
CID 80932720

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine (CID 80897287) is 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1NCc1cnc(C)s1.
What is the InChIKey of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine?
The InChIKey is WVHBAENEVXOGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-3-4-10-11(16-7-17-12(10)18-13)15-6-9-5-14-8(2)19-9/h5,7H,3-4,6,13H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine?
6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80897287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).