6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine

C20H23N5O — CID 112866338

IUPAC6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(Nc3ccc(N(C)C)cc3)ncn2)cc1
InChIInChI=1S/C20H23N5O/c1-4-26-18-11-7-16(8-12-18)24-20-13-19(21-14-22-20)23-15-5-9-17(10-6-15)25(2)3/h5-14H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyLATANNNWNJPXKM-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.43
Rot. Bonds7

About 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine

6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112866338) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112866338
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
SMILESCCOc1ccc(Nc2cc(Nc3ccc(N(C)C)cc3)ncn2)cc1
InChIInChI=1S/C20H23N5O/c1-4-26-18-11-7-16(8-12-18)24-20-13-19(21-14-22-20)23-15-5-9-17(10-6-15)25(2)3/h5-14H,4H2,1-3H3,(H2,21,22,23,24)
InChIKeyLATANNNWNJPXKM-UHFFFAOYSA-N
XLogP4.43
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-N-[4-(dimethylamino)phenyl]-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866298
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
2-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112904932
4-ethoxy-N,N-dimethylaniline
CID 3624890
4-N-[4-(dimethylamino)phenyl]pyrimidine-4,6-diamine
CID 80790052
4-N-[4-(dimethylamino)phenyl]-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856969
6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180
3-[[6-[4-(dimethylamino)anilino]pyrimidin-4-yl]amino]benzonitrile
CID 112866899
N-[4-(dimethylamino)phenyl]-5-(4-ethoxyanilino)pyrazine-2-carboxamide
CID 109293760
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985

Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine (CID 112866338) is 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine is CCOc1ccc(Nc2cc(Nc3ccc(N(C)C)cc3)ncn2)cc1.
What is the InChIKey of 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is LATANNNWNJPXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-26-18-11-7-16(8-12-18)24-20-13-19(21-14-22-20)23-15-5-9-17(10-6-15)25(2)3/h5-14H,4H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine?
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 349.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112866338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).