6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine

C23H28BrN5 — CID 68801049

IUPAC6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
SMILESNCC1CCC(Cc2nc(NCc3cccc4ccccc34)nc(N)c2Br)CC1
InChIInChI=1S/C23H28BrN5/c24-21-20(12-15-8-10-16(13-25)11-9-15)28-23(29-22(21)26)27-14-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,15-16H,8-14,25H2,(H3,26,27,28,29)
InChIKeyPYPDZNCAMBKRKY-UHFFFAOYSA-N
MW454.42 g/mol
LogP4.89
Rot. Bonds6

About 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine

6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 68801049) has the molecular formula C23H28BrN5 and a molecular weight of 454.42 g/mol. Its IUPAC name is 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
PubChem CID68801049
Molecular FormulaC23H28BrN5
Molecular Weight454.42 g/mol
Exact Mass453.15
IUPAC Name6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine
SMILESNCC1CCC(Cc2nc(NCc3cccc4ccccc34)nc(N)c2Br)CC1
InChIInChI=1S/C23H28BrN5/c24-21-20(12-15-8-10-16(13-25)11-9-15)28-23(29-22(21)26)27-14-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,15-16H,8-14,25H2,(H3,26,27,28,29)
InChIKeyPYPDZNCAMBKRKY-UHFFFAOYSA-N
XLogP4.89
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine
CID 46838672
N~4~-benzyl-N~2~-(4-bromophenyl)quinazoline-2,4-diamine
CID 1943389
6-Methyl-5-(naphthalen-2-YL)pyrimidine-2,4-diamine
CID 12214230
4-(4-Methylpiperazin-1-yl)-6-naphthalen-2-ylpyrimidin-2-amine
CID 25129880
6-[(1-Naphthylamino)methyl]-2,4-diaminoquinazoline
CID 457341
N6-(1-naphthylmethyl)quinazoline-2,4,6-triamine
CID 462126
6-[(1-Naphthylamino)methyl]-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 475795
(4,6-Dimethylpyrimidin-2-yl)(naphthalen-1-ylmethyl)cyanamide
CID 894264
(2-Bromo-4-isopropyl-phenyl)-ethyl-(4-methyl-6-naphthalen-1-yl-pyrimidin-2-yl)-amine
CID 44266496
6-N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)quinazoline-2,4,6-triamine
CID 44343198
6-Ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine
CID 44531188
4-N-(2,2-diphenylethyl)-6-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 44532331

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine (CID 68801049) is 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine is NCC1CCC(Cc2nc(NCc3cccc4ccccc34)nc(N)c2Br)CC1.
What is the InChIKey of 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is PYPDZNCAMBKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN5/c24-21-20(12-15-8-10-16(13-25)11-9-15)28-23(29-22(21)26)27-14-18-6-3-5-17-4-1-2-7-19(17)18/h1-7,15-16H,8-14,25H2,(H3,26,27,28,29).
What are the key properties of 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine?
6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 454.42 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(aminomethyl)cyclohexyl]methyl]-5-bromo-2-N-(naphthalen-1-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68801049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).