2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide

C26H36N6O2 — CID 67307532

IUPAC2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide
SMILESCCN(CC)CCCCC(N)C(=O)Nc1cc(-c2ccnc(NC)n2)cc2ccc(OC)cc12
InChIInChI=1S/C26H36N6O2/c1-5-32(6-2)14-8-7-9-22(27)25(33)30-24-16-19(23-12-13-29-26(28-3)31-23)15-18-10-11-20(34-4)17-21(18)24/h10-13,15-17,22H,5-9,14,27H2,1-4H3,(H,30,33)(H,28,29,31)
InChIKeyXGEOLLQWYKGUCE-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.12
Rot. Bonds12

About 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide

2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide (PubChem CID 67307532) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide.

Molecular Properties

Compound Name2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide
PubChem CID67307532
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide
SMILESCCN(CC)CCCCC(N)C(=O)Nc1cc(-c2ccnc(NC)n2)cc2ccc(OC)cc12
InChIInChI=1S/C26H36N6O2/c1-5-32(6-2)14-8-7-9-22(27)25(33)30-24-16-19(23-12-13-29-26(28-3)31-23)15-18-10-11-20(34-4)17-21(18)24/h10-13,15-17,22H,5-9,14,27H2,1-4H3,(H,30,33)(H,28,29,31)
InChIKeyXGEOLLQWYKGUCE-UHFFFAOYSA-N
XLogP4.12
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)butyl]-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 67493925
N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 53257948
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
CID 53258879
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
CID 123395128
2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 67493734
3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamic acid
CID 67493714
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
(2S)-2-amino-N-(2-hydroxy-5-methoxyphenyl)pentanamide
CID 107570852
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-3-(1-methylpiperidin-4-yl)propanamide
CID 58336404
N-[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 58336427

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide?
The IUPAC name of 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide (CID 67307532) is 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide.
What is the SMILES notation for 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide?
The canonical SMILES for 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide is CCN(CC)CCCCC(N)C(=O)Nc1cc(-c2ccnc(NC)n2)cc2ccc(OC)cc12.
What is the InChIKey of 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide?
The InChIKey is XGEOLLQWYKGUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-5-32(6-2)14-8-7-9-22(27)25(33)30-24-16-19(23-12-13-29-26(28-3)31-23)15-18-10-11-20(34-4)17-21(18)24/h10-13,15-17,22H,5-9,14,27H2,1-4H3,(H,30,33)(H,28,29,31).
What are the key properties of 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide?
2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide has a molecular weight of 464.61 g/mol, XLogP of 4.12, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(diethylamino)-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]hexanamide is sourced from PubChem (CID 67307532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).