1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

C21H25N5O2 — CID 145130159

IUPAC1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILES[H]/N=C(\c1ccc2cc(OCC)ccc2c1)c1c(N)ncnc1NCC(C)(C)O
InChIInChI=1S/C21H25N5O2/c1-4-28-16-8-7-13-9-15(6-5-14(13)10-16)18(22)17-19(23)25-12-26-20(17)24-11-21(2,3)27/h5-10,12,22,27H,4,11H2,1-3H3,(H3,23,24,25,26)/b22-18+
InChIKeyYAJMCXIYBVQZGQ-RELWKKBWSA-N
MW379.46 g/mol
LogP3.21
Rot. Bonds7

About 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol

1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (PubChem CID 145130159) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
PubChem CID145130159
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
SMILES[H]/N=C(\c1ccc2cc(OCC)ccc2c1)c1c(N)ncnc1NCC(C)(C)O
InChIInChI=1S/C21H25N5O2/c1-4-28-16-8-7-13-9-15(6-5-14(13)10-16)18(22)17-19(23)25-12-26-20(17)24-11-21(2,3)27/h5-10,12,22,27H,4,11H2,1-3H3,(H3,23,24,25,26)/b22-18+
InChIKeyYAJMCXIYBVQZGQ-RELWKKBWSA-N
XLogP3.21
TPSA117.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-amino-5-(6-cyclopropyloxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130100
5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 145130112
4-N-tert-butyl-5-[4-(trifluoromethoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 147808602
5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184739
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
3-[4-amino-6-(tert-butylamino)pyrimidine-5-carboximidoyl]phenol
CID 148645761
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80840720
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
5-[4-(4-methoxyphenoxy)benzenecarboximidoyl]-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 145184698

Frequently Asked Questions

What is the IUPAC name of 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol (CID 145130159) is 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is [H]/N=C(\c1ccc2cc(OCC)ccc2c1)c1c(N)ncnc1NCC(C)(C)O.
What is the InChIKey of 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
The InChIKey is YAJMCXIYBVQZGQ-RELWKKBWSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-4-28-16-8-7-13-9-15(6-5-14(13)10-16)18(22)17-19(23)25-12-26-20(17)24-11-21(2,3)27/h5-10,12,22,27H,4,11H2,1-3H3,(H3,23,24,25,26)/b22-18+.
What are the key properties of 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol?
1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol has a molecular weight of 379.46 g/mol, XLogP of 3.21, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 145130159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).