N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine

C17H20N6S — CID 75054373

IUPACN-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(NN=Cc3cccc(CN)n3)ncnc2s1
InChIInChI=1S/C17H20N6S/c1-17(2,3)14-7-13-15(19-10-20-16(13)24-14)23-21-9-12-6-4-5-11(8-18)22-12/h4-7,9-10H,8,18H2,1-3H3,(H,19,20,23)
InChIKeyZZEPQDODGXTJFP-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.29
Rot. Bonds4

About N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine

N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 75054373) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
PubChem CID75054373
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC NameN-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)(C)c1cc2c(NN=Cc3cccc(CN)n3)ncnc2s1
InChIInChI=1S/C17H20N6S/c1-17(2,3)14-7-13-15(19-10-20-16(13)24-14)23-21-9-12-6-4-5-11(8-18)22-12/h4-7,9-10H,8,18H2,1-3H3,(H,19,20,23)
InChIKeyZZEPQDODGXTJFP-UHFFFAOYSA-N
XLogP3.29
TPSA89.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[[6-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-pyridinyl]methyl]isoindole-1,3-dione
CID 139987720
2-[4-[2-[[4-(aminomethyl)phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropan-1-ol
CID 139987623
methyl 4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 46227453
methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 75178783
2-[[4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methyl]isoindole-1,3-dione
CID 139987704
6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987573
6-tert-butyl-N-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 75178763
6-tert-butyl-N-[[3-[2-(methylamino)ethoxy]-1,2-oxazol-5-yl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987682
6-tert-butyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987613
6-(1-fluoro-2-methylpropan-2-yl)-N-[(E)-[4-(methylaminomethyl)-1,3-thiazol-2-yl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 53493571
6-ethyl-N-[(Z)-thiophen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 5332196
[4-methyl-5-[[[6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazinylidene]methyl]thiophen-2-yl]methanol
CID 70037477

Frequently Asked Questions

What is the IUPAC name of N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine (CID 75054373) is N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine is CC(C)(C)c1cc2c(NN=Cc3cccc(CN)n3)ncnc2s1.
What is the InChIKey of N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZZEPQDODGXTJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-17(2,3)14-7-13-15(19-10-20-16(13)24-14)23-21-9-12-6-4-5-11(8-18)22-12/h4-7,9-10H,8,18H2,1-3H3,(H,19,20,23).
What are the key properties of N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine?
N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.46 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75054373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).