2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine

C17H24N4O3 — CID 112911567

IUPAC2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O3/c1-13-12-16(21-17(20-13)19-8-10-22-2)18-9-11-24-15-6-4-14(23-3)5-7-15/h4-7,12H,8-11H2,1-3H3,(H2,18,19,20,21)
InChIKeySSZQNCMGWKFQRS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.34
Rot. Bonds10

About 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine

2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 112911567) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID112911567
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCOCCNc1nc(C)cc(NCCOc2ccc(OC)cc2)n1
InChIInChI=1S/C17H24N4O3/c1-13-12-16(21-17(20-13)19-8-10-22-2)18-9-11-24-15-6-4-14(23-3)5-7-15/h4-7,12H,8-11H2,1-3H3,(H2,18,19,20,21)
InChIKeySSZQNCMGWKFQRS-UHFFFAOYSA-N
XLogP2.34
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924535
4-N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112907953
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
4-N-cycloheptyl-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924534
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-diamine
CID 112885905
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112911101
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-N-[4-(dimethylamino)phenyl]-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112924521
4-[[2-[2-(4-methoxyphenoxy)ethylamino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194304
N-[2-(4-chlorophenoxy)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78848661
4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
2-N-(2-methoxyethyl)-6-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112911654

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine (CID 112911567) is 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine is COCCNc1nc(C)cc(NCCOc2ccc(OC)cc2)n1.
What is the InChIKey of 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is SSZQNCMGWKFQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-12-16(21-17(20-13)19-8-10-22-2)18-9-11-24-15-6-4-14(23-3)5-7-15/h4-7,12H,8-11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine?
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 332.40 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112911567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).