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

C13H20N6S — CID 81007615

IUPAC6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NCCc1cscn1
InChIInChI=1S/C13H20N6S/c1-8(2)11-17-12(9(3)13(18-11)19-14)15-5-4-10-6-20-7-16-10/h6-8H,4-5,14H2,1-3H3,(H2,15,17,18,19)
InChIKeyXSEUELITFSCDBA-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.31
Rot. Bonds6

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

6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 81007615) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID81007615
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(NN)nc(C(C)C)nc1NCCc1cscn1
InChIInChI=1S/C13H20N6S/c1-8(2)11-17-12(9(3)13(18-11)19-14)15-5-4-10-6-20-7-16-10/h6-8H,4-5,14H2,1-3H3,(H2,15,17,18,19)
InChIKeyXSEUELITFSCDBA-UHFFFAOYSA-N
XLogP2.31
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.31
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-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106106901
5-ethyl-6-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 80909420
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81000479
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006788
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 107324334
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 114045044
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 81007615) is 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is Cc1c(NN)nc(C(C)C)nc1NCCc1cscn1.
What is the InChIKey of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XSEUELITFSCDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-8(2)11-17-12(9(3)13(18-11)19-14)15-5-4-10-6-20-7-16-10/h6-8H,4-5,14H2,1-3H3,(H2,15,17,18,19).
What are the key properties of 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 81007615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).