N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C19H24N6OS — CID 145104363

IUPACN-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=N/C(=C\SCNC1=NCCCN1)c1cccc(N(C)Cc2ccco2)n1
InChIInChI=1S/C19H24N6OS/c1-20-17(13-27-14-23-19-21-9-5-10-22-19)16-7-3-8-18(24-16)25(2)12-15-6-4-11-26-15/h3-4,6-8,11,13H,1,5,9-10,12,14H2,2H3,(H2,21,22,23)/b17-13-
InChIKeyJHVOCXZJOASDFO-LGMDPLHJSA-N
MW384.51 g/mol
LogP2.94
Rot. Bonds8

About N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 145104363) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID145104363
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC NameN-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=N/C(=C\SCNC1=NCCCN1)c1cccc(N(C)Cc2ccco2)n1
InChIInChI=1S/C19H24N6OS/c1-20-17(13-27-14-23-19-21-9-5-10-22-19)16-7-3-8-18(24-16)25(2)12-15-6-4-11-26-15/h3-4,6-8,11,13H,1,5,9-10,12,14H2,2H3,(H2,21,22,23)/b17-13-
InChIKeyJHVOCXZJOASDFO-LGMDPLHJSA-N
XLogP2.94
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 145104363) is N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C=N/C(=C\SCNC1=NCCCN1)c1cccc(N(C)Cc2ccco2)n1.
What is the InChIKey of N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is JHVOCXZJOASDFO-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-20-17(13-27-14-23-19-21-9-5-10-22-19)16-7-3-8-18(24-16)25(2)12-15-6-4-11-26-15/h3-4,6-8,11,13H,1,5,9-10,12,14H2,2H3,(H2,21,22,23)/b17-13-.
What are the key properties of N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 384.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-2-[6-[furan-2-ylmethyl(methyl)amino]-2-pyridinyl]-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 145104363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).