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

C13H20N6OS — CID 106043508

IUPAC2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H20N6OS/c1-3-20-7-13-17-11(6-12(18-13)19-14)15-5-4-10-8-21-9(2)16-10/h6,8H,3-5,7,14H2,1-2H3,(H2,15,17,18,19)
InChIKeyMNWBJENFZJCWSA-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.72
Rot. Bonds8

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

2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (PubChem CID 106043508) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
PubChem CID106043508
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(NN)cc(NCCc2csc(C)n2)n1
InChIInChI=1S/C13H20N6OS/c1-3-20-7-13-17-11(6-12(18-13)19-14)15-5-4-10-8-21-9(2)16-10/h6,8H,3-5,7,14H2,1-2H3,(H2,15,17,18,19)
InChIKeyMNWBJENFZJCWSA-UHFFFAOYSA-N
XLogP1.72
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.72
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'}

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Related Compounds

6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038178
6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106041934
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine
CID 106379040
2-(ethoxymethyl)-6-hydrazinyl-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114112730
3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 114143246
2-cyclopropyl-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 80964428
1-(dimethylamino)-3-[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 106150364
3-[[[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118665
6-bromo-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038164
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106040228
6-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitropyridine-2,6-diamine
CID 106041685
6-hydrazinyl-2-(methoxymethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 106106909

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine (CID 106043508) is 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is CCOCc1nc(NN)cc(NCCc2csc(C)n2)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
The InChIKey is MNWBJENFZJCWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-3-20-7-13-17-11(6-12(18-13)19-14)15-5-4-10-8-21-9(2)16-10/h6,8H,3-5,7,14H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine?
2-(ethoxymethyl)-6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine has a molecular weight of 308.41 g/mol, XLogP of 1.72, 8 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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106043508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).