4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine

C20H24N4O3 — CID 22543636

IUPAC4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESCOCCN(CCOC)c1ncnc(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C20H24N4O3/c1-25-11-9-24(10-12-26-2)19-18(21)20(23-14-22-19)27-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12,21H2,1-2H3
InChIKeyIHGLVOYOGIDIJQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.10
Rot. Bonds9

About 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine

4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (PubChem CID 22543636) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
PubChem CID22543636
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
SMILESCOCCN(CCOC)c1ncnc(Oc2ccc3ccccc3c2)c1N
InChIInChI=1S/C20H24N4O3/c1-25-11-9-24(10-12-26-2)19-18(21)20(23-14-22-19)27-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12,21H2,1-2H3
InChIKeyIHGLVOYOGIDIJQ-UHFFFAOYSA-N
XLogP3.10
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541401
4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19141680
4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
2-[(5-amino-6-ethoxypyrimidin-4-yl)-(2-methoxyethyl)amino]ethanol
CID 113467648
2-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141235
4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641
6-(3,4-dimethylphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141067
3-[(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-(2-cyanoethyl)amino]propanenitrile
CID 22541400
methyl 2-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]benzoate
CID 22543668
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine (CID 22543636) is 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is COCCN(CCOC)c1ncnc(Oc2ccc3ccccc3c2)c1N.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
The InChIKey is IHGLVOYOGIDIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-25-11-9-24(10-12-26-2)19-18(21)20(23-14-22-19)27-17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13-14H,9-12,21H2,1-2H3.
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine?
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine has a molecular weight of 368.44 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22543636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).