N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine

C25H30N4 — CID 134502531

IUPACN-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine
SMILESC=C1C=C(c2ccnc(NC3CCCCC3)n2)C=CN1CCc1cccc(C)c1
InChIInChI=1S/C25H30N4/c1-19-7-6-8-21(17-19)12-15-29-16-13-22(18-20(29)2)24-11-14-26-25(28-24)27-23-9-4-3-5-10-23/h6-8,11,13-14,16-18,23H,2-5,9-10,12,15H2,1H3,(H,26,27,28)
InChIKeySQRFFDFSZZKZMN-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.50
Rot. Bonds6

About N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine

N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine (PubChem CID 134502531) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine
PubChem CID134502531
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC NameN-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine
SMILESC=C1C=C(c2ccnc(NC3CCCCC3)n2)C=CN1CCc1cccc(C)c1
InChIInChI=1S/C25H30N4/c1-19-7-6-8-21(17-19)12-15-29-16-13-22(18-20(29)2)24-11-14-26-25(28-24)27-23-9-4-3-5-10-23/h6-8,11,13-14,16-18,23H,2-5,9-10,12,15H2,1H3,(H,26,27,28)
InChIKeySQRFFDFSZZKZMN-UHFFFAOYSA-N
XLogP5.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine (CID 134502531) is N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine is C=C1C=C(c2ccnc(NC3CCCCC3)n2)C=CN1CCc1cccc(C)c1.
What is the InChIKey of N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is SQRFFDFSZZKZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-19-7-6-8-21(17-19)12-15-29-16-13-22(18-20(29)2)24-11-14-26-25(28-24)27-23-9-4-3-5-10-23/h6-8,11,13-14,16-18,23H,2-5,9-10,12,15H2,1H3,(H,26,27,28).
What are the key properties of N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine?
N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 386.54 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-methylidene-1-[2-(3-methylphenyl)ethyl]-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 134502531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).