5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C21H25N5O — CID 145130112

IUPAC5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc2cc(OCC)ccc2c1)c1c(N)ncnc1NCC(C)C
InChIInChI=1S/C21H25N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19(22)18-20(23)25-12-26-21(18)24-11-13(2)3/h5-10,12-13,22H,4,11H2,1-3H3,(H3,23,24,25,26)/b22-19+
InChIKeyOPRBDXYWQGKIOG-ZBJSNUHESA-N
MW363.47 g/mol
LogP4.09
Rot. Bonds7

About 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 145130112) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID145130112
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc2cc(OCC)ccc2c1)c1c(N)ncnc1NCC(C)C
InChIInChI=1S/C21H25N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19(22)18-20(23)25-12-26-21(18)24-11-13(2)3/h5-10,12-13,22H,4,11H2,1-3H3,(H3,23,24,25,26)/b22-19+
InChIKeyOPRBDXYWQGKIOG-ZBJSNUHESA-N
XLogP4.09
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130159
1-[[6-amino-5-(6-cyclopropyloxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130100
4-N-tert-butyl-5-[4-(trifluoromethoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 147808602
5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol
CID 122448670
N-[2-[[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 145487033
4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
CID 145388019
5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184739
2-amino-4-methylpentanal;4-N-[4-(methylamino)cyclohexyl]-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 145124708
5-(6-methoxy-1H-indole-2-carboximidoyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 136593338
3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
CID 148645761
4-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 167479973
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 143074013

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 145130112) is 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is [H]/N=C(\c1ccc2cc(OCC)ccc2c1)c1c(N)ncnc1NCC(C)C.
What is the InChIKey of 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is OPRBDXYWQGKIOG-ZBJSNUHESA-N. The full InChI is InChI=1S/C21H25N5O/c1-4-27-17-8-7-14-9-16(6-5-15(14)10-17)19(22)18-20(23)25-12-26-21(18)24-11-13(2)3/h5-10,12-13,22H,4,11H2,1-3H3,(H3,23,24,25,26)/b22-19+.
What are the key properties of 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 363.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 145130112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).