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

C12H18N6S — CID 80897968

IUPAC6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(NN)c2C(C)C)cs1
InChIInChI=1S/C12H18N6S/c1-7(2)10-11(15-6-16-12(10)18-13)14-4-9-5-19-8(3)17-9/h5-7H,4,13H2,1-3H3,(H2,14,15,16,18)
InChIKeyLTXBHWOQUFTSQO-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.26
Rot. Bonds5

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

6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80897968) has the molecular formula C12H18N6S and a molecular weight of 278.39 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID80897968
Molecular FormulaC12H18N6S
Molecular Weight278.39 g/mol
Exact Mass278.13
IUPAC Name6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(CNc2ncnc(NN)c2C(C)C)cs1
InChIInChI=1S/C12H18N6S/c1-7(2)10-11(15-6-16-12(10)18-13)14-4-9-5-19-8(3)17-9/h5-7H,4,13H2,1-3H3,(H2,14,15,16,18)
InChIKeyLTXBHWOQUFTSQO-UHFFFAOYSA-N
XLogP2.26
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.26
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-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 63729301
6-N-ethyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106041611
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80807042
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80807868
3,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazin-2-amine
CID 65416461
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
N-tert-butyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80930410
6-hydrazinyl-N,5-di(propan-2-yl)pyrimidin-4-amine
CID 80932454
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
6-hydrazinyl-N-[(2-methylthiolan-2-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 80927117

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine (CID 80897968) is 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine is Cc1nc(CNc2ncnc(NN)c2C(C)C)cs1.
What is the InChIKey of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LTXBHWOQUFTSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-7(2)10-11(15-6-16-12(10)18-13)14-4-9-5-19-8(3)17-9/h5-7H,4,13H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 278.39 g/mol, XLogP of 2.26, 5 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-4-yl)methyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80897968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).