N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C13H22N6OS — CID 103333491

IUPACN-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H22N6OS/c1-9-8-10-11(15-4-5-19(2)6-7-20-3)16-13(18-14)17-12(10)21-9/h8H,4-7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyLKDIBVLSLAZWPC-UHFFFAOYSA-N
MW310.43 g/mol
LogP1.28
Rot. Bonds8

About N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 103333491) has the molecular formula C13H22N6OS and a molecular weight of 310.43 g/mol. Its IUPAC name is N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID103333491
Molecular FormulaC13H22N6OS
Molecular Weight310.43 g/mol
Exact Mass310.16
IUPAC NameN-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H22N6OS/c1-9-8-10-11(15-4-5-19(2)6-7-20-3)16-13(18-14)17-12(10)21-9/h8H,4-7,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyLKDIBVLSLAZWPC-UHFFFAOYSA-N
XLogP1.28
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 51.28
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

2-hydrazinyl-N,N-bis(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332567
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
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333854
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
CID 103332316
N-[2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 103332314
N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332464
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106043581
1-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103332256
2-hydrazinyl-N-(1-methoxypentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103333906
4-N-(4-methoxybutyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326737
N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 103321513

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 103333491) is N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNc1nc(NN)nc2sc(C)cc12.
What is the InChIKey of N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is LKDIBVLSLAZWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6OS/c1-9-8-10-11(15-4-5-19(2)6-7-20-3)16-13(18-14)17-12(10)21-9/h8H,4-7,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 310.43 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103333491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).