2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine

C12H17N7O — CID 114112730

IUPAC2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCc2ccncn2)n1
InChIInChI=1S/C12H17N7O/c1-2-20-7-12-17-10(5-11(18-12)19-13)15-6-9-3-4-14-8-16-9/h3-5,8H,2,6-7,13H2,1H3,(H2,15,17,18,19)
InChIKeyKFFOFIDKEZLWPN-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.70
Rot. Bonds7

About 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine

2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 114112730) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
PubChem CID114112730
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCc2ccncn2)n1
InChIInChI=1S/C12H17N7O/c1-2-20-7-12-17-10(5-11(18-12)19-13)15-6-9-3-4-14-8-16-9/h3-5,8H,2,6-7,13H2,1H3,(H2,15,17,18,19)
InChIKeyKFFOFIDKEZLWPN-UHFFFAOYSA-N
XLogP0.70
TPSA110.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 106379040
6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114111488
6-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]hexan-1-ol
CID 107854990
6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80946582
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566
2-(ethoxymethyl)-6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)pyrimidin-4-amine
CID 106294436
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106043508
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424697
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246
2-(ethoxymethyl)-6-hydrazinyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidin-4-amine
CID 106026088

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine (CID 114112730) is 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine is CCOCc1nc(NN)cc(NCc2ccncn2)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is KFFOFIDKEZLWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-2-20-7-12-17-10(5-11(18-12)19-13)15-6-9-3-4-14-8-16-9/h3-5,8H,2,6-7,13H2,1H3,(H2,15,17,18,19).
What are the key properties of 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine?
2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 275.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 114112730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).