2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H21N5OS — CID 103333906

IUPAC2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCC(COC)Nc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H21N5OS/c1-4-5-9(7-19-3)15-11-10-6-8(2)20-12(10)17-13(16-11)18-14/h6,9H,4-5,7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyZMJZKYBOVRKJQM-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.51
Rot. Bonds7

About 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103333906) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103333906
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC Name2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCC(COC)Nc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H21N5OS/c1-4-5-9(7-19-3)15-11-10-6-8(2)20-12(10)17-13(16-11)18-14/h6,9H,4-5,7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyZMJZKYBOVRKJQM-UHFFFAOYSA-N
XLogP2.51
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-ethyl-4-N-(1-methoxypentan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328231
2-N,6-dimethyl-4-N-octan-4-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 106028883
4-N-hexan-3-yl-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327093
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324235
[4-(1-methoxypropan-2-yloxy)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336311
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
4-N-(4-methoxybutan-2-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328333
4-methoxy-3-N-(6-methylthieno[2,3-d]pyrimidin-4-yl)butane-1,3-diamine
CID 106154672
N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103333491
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103333906) is 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCCC(COC)Nc1nc(NN)nc2sc(C)cc12.
What is the InChIKey of 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZMJZKYBOVRKJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-4-5-9(7-19-3)15-11-10-6-8(2)20-12(10)17-13(16-11)18-14/h6,9H,4-5,7,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 295.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103333906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).