N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

C12H23N5O — CID 80964267

IUPACN-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCC(C)Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5O/c1-5-18-7-9(4)14-10-6-11(17-13)16-12(15-10)8(2)3/h6,8-9H,5,7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyVDTWBYHFZCQKQT-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.72
Rot. Bonds7

About N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine

N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80964267) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80964267
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOCC(C)Nc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5O/c1-5-18-7-9(4)14-10-6-11(17-13)16-12(15-10)8(2)3/h6,8-9H,5,7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyVDTWBYHFZCQKQT-UHFFFAOYSA-N
XLogP1.72
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-chloro-N-(1-ethoxypropan-2-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80953961
4-N-(1-ethoxypropan-2-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80813392
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
2-ethyl-6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80940815
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969046
3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163695
[6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 102723712
N-ethyl-2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylacetamide
CID 114133543
2-ethyl-6-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80940178
(2-propan-2-yl-6-prop-2-ynoxypyrimidin-4-yl)hydrazine
CID 80968837

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 80964267) is N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is CCOCC(C)Nc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VDTWBYHFZCQKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-18-7-9(4)14-10-6-11(17-13)16-12(15-10)8(2)3/h6,8-9H,5,7,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80964267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).