4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

C20H24N4O3 — CID 22541401

IUPAC4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESCOCCN(CCOC)c1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C20H24N4O3/c1-25-12-10-24(11-13-26-2)19-18(21)20(23-14-22-19)27-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13,21H2,1-2H3
InChIKeyVUTMVDHVCGMIIZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.10
Rot. Bonds9

About 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine

4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (PubChem CID 22541401) 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-1-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
PubChem CID22541401
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
SMILESCOCCN(CCOC)c1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C20H24N4O3/c1-25-12-10-24(11-13-26-2)19-18(21)20(23-14-22-19)27-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13,21H2,1-2H3
InChIKeyVUTMVDHVCGMIIZ-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

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Related Compounds

3-[(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-(2-cyanoethyl)amino]propanenitrile
CID 22541400
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543636
4-N,4-N-bis(2-methoxyethyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19141680
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
2-[(5-amino-6-ethoxypyrimidin-4-yl)-(2-methoxyethyl)amino]ethanol
CID 113467648
2-[[5-amino-6-(2-methoxyphenoxy)pyrimidin-4-yl]-ethylamino]ethanol
CID 19141234
6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 22541555
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine (CID 22541401) is 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine is COCCN(CCOC)c1ncnc(Oc2cccc3ccccc23)c1N.
What is the InChIKey of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
The InChIKey is VUTMVDHVCGMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-25-12-10-24(11-13-26-2)19-18(21)20(23-14-22-19)27-17-9-5-7-15-6-3-4-8-16(15)17/h3-9,14H,10-13,21H2,1-2H3.
What are the key properties of 4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine?
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-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-1-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 22541401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).