4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine

C20H23N5O2 — CID 15556985

IUPAC4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
SMILESCCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)nc(N)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-3-26-16-9-5-14(6-10-16)22-18-13-19(25-20(21)24-18)23-15-7-11-17(12-8-15)27-4-2/h5-13H,3-4H2,1-2H3,(H4,21,22,23,24,25)
InChIKeyBQOZPCJWGGVLHN-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.34
Rot. Bonds8

About 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine

4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine (PubChem CID 15556985) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
PubChem CID15556985
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
SMILESCCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)nc(N)n2)cc1
InChIInChI=1S/C20H23N5O2/c1-3-26-16-9-5-14(6-10-16)22-18-13-19(25-20(21)24-18)23-15-7-11-17(12-8-15)27-4-2/h5-13H,3-4H2,1-2H3,(H4,21,22,23,24,25)
InChIKeyBQOZPCJWGGVLHN-UHFFFAOYSA-N
XLogP4.34
TPSA94.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
2-tert-butyl-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 80955700
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
2-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 56804897
1-[4-[[6-(4-ethoxyanilino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112878488
4-N-(3-chloro-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 58626180
6-(difluoromethyl)-N-(4-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882784
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 80919860
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine (CID 15556985) is 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine is CCOc1ccc(Nc2cc(Nc3ccc(OCC)cc3)nc(N)n2)cc1.
What is the InChIKey of 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is BQOZPCJWGGVLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-26-16-9-5-14(6-10-16)22-18-13-19(25-20(21)24-18)23-15-7-11-17(12-8-15)27-4-2/h5-13H,3-4H2,1-2H3,(H4,21,22,23,24,25).
What are the key properties of 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine?
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 365.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 15556985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).