6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C24H27N5 — CID 112880224

IUPAC6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESC1=C(CCNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)CCCC1
InChIInChI=1S/C24H27N5/c1-3-8-19(9-4-1)13-15-26-22-16-23(27-18-20-10-7-14-25-17-20)29-24(28-22)21-11-5-2-6-12-21/h2,5-8,10-12,14,16-17H,1,3-4,9,13,15,18H2,(H2,26,27,28,29)
InChIKeyTZYYKHIPBDKCJD-UHFFFAOYSA-N
MW385.52 g/mol
LogP5.45
Rot. Bonds8

About 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112880224) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112880224
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESC1=C(CCNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)CCCC1
InChIInChI=1S/C24H27N5/c1-3-8-19(9-4-1)13-15-26-22-16-23(27-18-20-10-7-14-25-17-20)29-24(28-22)21-11-5-2-6-12-21/h2,5-8,10-12,14,16-17H,1,3-4,9,13,15,18H2,(H2,26,27,28,29)
InChIKeyTZYYKHIPBDKCJD-UHFFFAOYSA-N
XLogP5.45
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
6-N-butyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112879729
4-N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112934815
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880214
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
N-[2-(cyclohexen-1-yl)ethyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109152795
N-[2-(cyclohexen-1-yl)ethyl]-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112934210
6-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869351
N-[2-(cyclohexen-1-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109299486
N-[2-(cyclohexen-1-yl)ethyl]-10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 7963526
4-N-benzyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879191
6-phenyl-4-N-(3-phenylpropyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937291

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112880224) is 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is C1=C(CCNc2cc(NCc3cccnc3)nc(-c3ccccc3)n2)CCCC1.
What is the InChIKey of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is TZYYKHIPBDKCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-3-8-19(9-4-1)13-15-26-22-16-23(27-18-20-10-7-14-25-17-20)29-24(28-22)21-11-5-2-6-12-21/h2,5-8,10-12,14,16-17H,1,3-4,9,13,15,18H2,(H2,26,27,28,29).
What are the key properties of 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 385.52 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(cyclohexen-1-yl)ethyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112880224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).