6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

C17H24N4O2 — CID 112855321

IUPAC6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OCCNc2cc(NCC(C)C)ncn2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-19-17-10-16(20-12-21-17)18-8-9-23-15-6-4-14(22-3)5-7-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyROWCFUIKAASNLP-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.04
Rot. Bonds9

About 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine

6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (PubChem CID 112855321) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
PubChem CID112855321
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OCCNc2cc(NCC(C)C)ncn2)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)11-19-17-10-16(20-12-21-17)18-8-9-23-15-6-4-14(22-3)5-7-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H2,18,19,20,21)
InChIKeyROWCFUIKAASNLP-UHFFFAOYSA-N
XLogP3.04
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.04
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

6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
6-N-(3-methoxypropyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855261
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112863659
4-N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112875821
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112863695
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112860359
N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353387
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine (CID 112855321) is 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is COc1ccc(OCCNc2cc(NCC(C)C)ncn2)cc1.
What is the InChIKey of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
The InChIKey is ROWCFUIKAASNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)11-19-17-10-16(20-12-21-17)18-8-9-23-15-6-4-14(22-3)5-7-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine?
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine has a molecular weight of 316.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112855321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).