4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine

C23H25N5O — CID 143074013

IUPAC4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C23H25N5O/c24-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)20-22(25)26-15-27-23(20)28-17-7-3-1-4-8-17/h2,5-6,9-15,17,24H,1,3-4,7-8H2,(H3,25,26,27,28)/b24-21+
InChIKeyCUOOPPNUJZHGNU-DARPEHSRSA-N
MW387.49 g/mol
LogP5.01
Rot. Bonds6

About 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine

4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine (PubChem CID 143074013) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
PubChem CID143074013
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1c(N)ncnc1NC1CCCCC1
InChIInChI=1S/C23H25N5O/c24-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)20-22(25)26-15-27-23(20)28-17-7-3-1-4-8-17/h2,5-6,9-15,17,24H,1,3-4,7-8H2,(H3,25,26,27,28)/b24-21+
InChIKeyCUOOPPNUJZHGNU-DARPEHSRSA-N
XLogP5.01
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine (CID 143074013) is 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine is [H]/N=C(\c1ccc(Oc2ccccc2)cc1)c1c(N)ncnc1NC1CCCCC1.
What is the InChIKey of 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine?
The InChIKey is CUOOPPNUJZHGNU-DARPEHSRSA-N. The full InChI is InChI=1S/C23H25N5O/c24-21(16-11-13-19(14-12-16)29-18-9-5-2-6-10-18)20-22(25)26-15-27-23(20)28-17-7-3-1-4-8-17/h2,5-6,9-15,17,24H,1,3-4,7-8H2,(H3,25,26,27,28)/b24-21+.
What are the key properties of 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine?
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine has a molecular weight of 387.49 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 143074013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).