6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine

C14H17N3O3 — CID 82453533

IUPAC6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(OC)ncn2)cc1
InChIInChI=1S/C14H17N3O3/c1-18-11-3-5-12(6-4-11)20-8-7-15-13-9-14(19-2)17-10-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFKFSFZSGMUWETF-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.98
Rot. Bonds7

About 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine

6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 82453533) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
PubChem CID82453533
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(OCCNc2cc(OC)ncn2)cc1
InChIInChI=1S/C14H17N3O3/c1-18-11-3-5-12(6-4-11)20-8-7-15-13-9-14(19-2)17-10-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyFKFSFZSGMUWETF-UHFFFAOYSA-N
XLogP1.98
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855321
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66325776
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860749
N,N-diethyl-6-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109353387
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112863659
N-(4-chlorobutyl)-6-methoxypyrimidin-4-amine
CID 106845025

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine (CID 82453533) is 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine is COc1ccc(OCCNc2cc(OC)ncn2)cc1.
What is the InChIKey of 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is FKFSFZSGMUWETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-18-11-3-5-12(6-4-11)20-8-7-15-13-9-14(19-2)17-10-16-13/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine?
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine has a molecular weight of 275.31 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 82453533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).