4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

C16H22N4O2 — CID 112885690

IUPAC4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C16H22N4O2/c1-21-12-11-17-15-8-10-19-16(20-15)18-9-7-13-5-3-4-6-14(13)22-2/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,17,18,19,20)
InChIKeyOBFWXLZVNKRRRO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.20
Rot. Bonds9

About 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 112885690) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID112885690
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
SMILESCOCCNc1ccnc(NCCc2ccccc2OC)n1
InChIInChI=1S/C16H22N4O2/c1-21-12-11-17-15-8-10-19-16(20-15)18-9-7-13-5-3-4-6-14(13)22-2/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,17,18,19,20)
InChIKeyOBFWXLZVNKRRRO-UHFFFAOYSA-N
XLogP2.20
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[2-(2-methoxyphenyl)ethyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882695
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895017
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894903
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890143
2-N-(4-bromophenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894961
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
2-N-(4-ethoxyphenyl)-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112894966
4-N-(3-fluorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895100

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine (CID 112885690) is 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is COCCNc1ccnc(NCCc2ccccc2OC)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is OBFWXLZVNKRRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-21-12-11-17-15-8-10-19-16(20-15)18-9-7-13-5-3-4-6-14(13)22-2/h3-6,8,10H,7,9,11-12H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112885690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).