6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

C10H17N7O2S — CID 106327655

IUPAC6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESNNc1ncnc(NCCN2CCSCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O2S/c11-15-10-8(17(18)19)9(13-7-14-10)12-1-2-16-3-5-20-6-4-16/h7H,1-6,11H2,(H2,12,13,14,15)
InChIKeyBOUPFPXFCKDMPP-UHFFFAOYSA-N
MW299.36 g/mol
LogP0.13
Rot. Bonds6

About 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine

6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 106327655) has the molecular formula C10H17N7O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID106327655
Molecular FormulaC10H17N7O2S
Molecular Weight299.36 g/mol
Exact Mass299.12
IUPAC Name6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
SMILESNNc1ncnc(NCCN2CCSCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H17N7O2S/c11-15-10-8(17(18)19)9(13-7-14-10)12-1-2-16-3-5-20-6-4-16/h7H,1-6,11H2,(H2,12,13,14,15)
InChIKeyBOUPFPXFCKDMPP-UHFFFAOYSA-N
XLogP0.13
TPSA122.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 50.13
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

5-nitro-4-N,6-N-bis(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 11959076
2-hydrazinyl-6-methyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327651
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
6-N-butyl-5-nitro-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 23486711
4-N-cycloheptyl-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526142
6-chloro-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 106324872
2-chloro-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106326663
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327548
N-(2-cyclopentyloxyethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80910265
6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 80903432
4-N-[(4-chlorophenyl)methyl]-5-nitro-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 22526075

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine (CID 106327655) is 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is NNc1ncnc(NCCN2CCSCC2)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is BOUPFPXFCKDMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2S/c11-15-10-8(17(18)19)9(13-7-14-10)12-1-2-16-3-5-20-6-4-16/h7H,1-6,11H2,(H2,12,13,14,15).
What are the key properties of 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine?
6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 299.36 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-5-nitro-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 106327655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).