N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C14H24N4S — CID 145105022

IUPACN-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=N/C(=C\SCNC1=NCCCN1)C1CCCCC1
InChIInChI=1S/C14H24N4S/c1-15-13(12-6-3-2-4-7-12)10-19-11-18-14-16-8-5-9-17-14/h10,12H,1-9,11H2,(H2,16,17,18)/b13-10-
InChIKeySPUPLMGSWFIKFU-RAXLEYEMSA-N
MW280.44 g/mol
LogP2.74
Rot. Bonds5

About N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 145105022) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID145105022
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC=N/C(=C\SCNC1=NCCCN1)C1CCCCC1
InChIInChI=1S/C14H24N4S/c1-15-13(12-6-3-2-4-7-12)10-19-11-18-14-16-8-5-9-17-14/h10,12H,1-9,11H2,(H2,16,17,18)/b13-10-
InChIKeySPUPLMGSWFIKFU-RAXLEYEMSA-N
XLogP2.74
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 145105022) is N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is C=N/C(=C\SCNC1=NCCCN1)C1CCCCC1.
What is the InChIKey of N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is SPUPLMGSWFIKFU-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H24N4S/c1-15-13(12-6-3-2-4-7-12)10-19-11-18-14-16-8-5-9-17-14/h10,12H,1-9,11H2,(H2,16,17,18)/b13-10-.
What are the key properties of N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 280.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-2-cyclohexyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 145105022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).