6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine

C14H25N7O3 — CID 22537557

IUPAC6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N7O3/c1-14(2,3)19-18-13-11(21(22)23)12(16-10-17-13)15-4-5-20-6-8-24-9-7-20/h10,19H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMSTUNVUCQYVIDM-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.84
Rot. Bonds7

About 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine

6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine (PubChem CID 22537557) has the molecular formula C14H25N7O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
PubChem CID22537557
Molecular FormulaC14H25N7O3
Molecular Weight339.40 g/mol
Exact Mass339.20
IUPAC Name6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C14H25N7O3/c1-14(2,3)19-18-13-11(21(22)23)12(16-10-17-13)15-4-5-20-6-8-24-9-7-20/h10,19H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMSTUNVUCQYVIDM-UHFFFAOYSA-N
XLogP0.84
TPSA117.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526884
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593
4-methyl-N'-[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]benzenesulfonohydrazide
CID 22536934
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
N-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22538128
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
1-[4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 22533671
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
CID 23487405
5-nitro-4-N,6-N-bis(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 11959076
4-N-(5-chloro-2-methylphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23486009
4-N,4-N-bis(2-methylpropyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23493066

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine (CID 22537557) is 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine is CC(C)(C)NNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
The InChIKey is MSTUNVUCQYVIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7O3/c1-14(2,3)19-18-13-11(21(22)23)12(16-10-17-13)15-4-5-20-6-8-24-9-7-20/h10,19H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine?
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine has a molecular weight of 339.40 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22537557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).