2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine

C13H20N6S — CID 80964799

IUPAC2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1csc(CNc2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H20N6S/c1-8-7-20-11(16-8)6-15-9-5-10(19-14)18-12(17-9)13(2,3)4/h5,7H,6,14H2,1-4H3,(H2,15,17,18,19)
InChIKeyJAYSWGAQYLXWIB-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.44
Rot. Bonds4

About 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine

2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 80964799) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID80964799
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1csc(CNc2cc(NN)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C13H20N6S/c1-8-7-20-11(16-8)6-15-9-5-10(19-14)18-12(17-9)13(2,3)4/h5,7H,6,14H2,1-4H3,(H2,15,17,18,19)
InChIKeyJAYSWGAQYLXWIB-UHFFFAOYSA-N
XLogP2.44
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.44
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-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80896903
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 60733823
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115750507
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80807651
6-hydrazinyl-N-(1,3-thiazol-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775511
4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
CID 60733825
5-tert-butyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 84597654
5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridazin-3-amine
CID 106549584
2-cyclopropyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80961678
5,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 114475451
N-[(3-bromophenyl)methyl]-2-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80963952
2-tert-butyl-6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82874800

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 80964799) is 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is Cc1csc(CNc2cc(NN)nc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is JAYSWGAQYLXWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-8-7-20-11(16-8)6-15-9-5-10(19-14)18-12(17-9)13(2,3)4/h5,7H,6,14H2,1-4H3,(H2,15,17,18,19).
What are the key properties of 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 292.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80964799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).