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

C10H13N7O2S — CID 114045044

IUPAC2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NN)nc(NCCc2cscn2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N7O2S/c1-6-8(17(18)19)9(15-10(14-6)16-11)12-3-2-7-4-20-5-13-7/h4-5H,2-3,11H2,1H3,(H2,12,14,15,16)
InChIKeyKYJBUJUHXKUHAV-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.09
Rot. Bonds6

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

2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 114045044) has the molecular formula C10H13N7O2S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID114045044
Molecular FormulaC10H13N7O2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NN)nc(NCCc2cscn2)c1[N+](=O)[O-]
InChIInChI=1S/C10H13N7O2S/c1-6-8(17(18)19)9(15-10(14-6)16-11)12-3-2-7-4-20-5-13-7/h4-5H,2-3,11H2,1H3,(H2,12,14,15,16)
InChIKeyKYJBUJUHXKUHAV-UHFFFAOYSA-N
XLogP1.09
TPSA131.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 80711079
2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327651
4-[[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384288
N-(2,3-dimethylbutyl)-2-hydrazinyl-6-methyl-5-nitropyrimidin-4-amine
CID 114045065
2-nitro-3-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,3-diamine
CID 80846275
4-methyl-2-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 63830455
2-hydrazinyl-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045033
6-hydrazinyl-5-methyl-2-propan-2-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 81007615
1,1-difluoro-3-[(2-hydrazinyl-6-methyl-5-nitropyrimidin-4-yl)amino]propan-2-ol
CID 114094055
2-bromo-5-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 103269504
2-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 55260079
3-nitro-6-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2,6-diamine
CID 79815784

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 114045044) is 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is Cc1nc(NN)nc(NCCc2cscn2)c1[N+](=O)[O-].
What is the InChIKey of 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is KYJBUJUHXKUHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7O2S/c1-6-8(17(18)19)9(15-10(14-6)16-11)12-3-2-7-4-20-5-13-7/h4-5H,2-3,11H2,1H3,(H2,12,14,15,16).
What are the key properties of 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 295.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 114045044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).