2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

C17H22N4O2 — CID 112886777

IUPAC2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-2-22-14-7-5-13(6-8-14)20-17-18-10-9-16(21-17)19-12-15-4-3-11-23-15/h5-10,15H,2-4,11-12H2,1H3,(H2,18,19,20,21)
InChIKeySAZPSILLOJWLSZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.21
Rot. Bonds7

About 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine

2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112886777) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112886777
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2nccc(NCC3CCCO3)n2)cc1
InChIInChI=1S/C17H22N4O2/c1-2-22-14-7-5-13(6-8-14)20-17-18-10-9-16(21-17)19-12-15-4-3-11-23-15/h5-10,15H,2-4,11-12H2,1H3,(H2,18,19,20,21)
InChIKeySAZPSILLOJWLSZ-UHFFFAOYSA-N
XLogP3.21
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886926
4-N-(oxolan-2-ylmethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112886786
2-N-(2-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886776
2-N-(3-chloro-4-methoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886769
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
2-N-(2,4-dimethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886782
4-N-(oxolan-2-ylmethyl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112886819
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
2-N-cyclohexyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112884929
4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206845
4-N-(4-methoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857303
2-N,2-N-diethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112886716

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine (CID 112886777) is 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is CCOc1ccc(Nc2nccc(NCC3CCCO3)n2)cc1.
What is the InChIKey of 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is SAZPSILLOJWLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-22-14-7-5-13(6-8-14)20-17-18-10-9-16(21-17)19-12-15-4-3-11-23-15/h5-10,15H,2-4,11-12H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxyphenyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112886777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).