6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

C19H21N5O2 — CID 112860749

IUPAC6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OCCNc2cc(NCc3cccnc3)ncn2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-16-4-6-17(7-5-16)26-10-9-21-18-11-19(24-14-23-18)22-13-15-3-2-8-20-12-15/h2-8,11-12,14H,9-10,13H2,1H3,(H2,21,22,23,24)
InChIKeyQVLRLDNLEBYHKN-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.98
Rot. Bonds9

About 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860749) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860749
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(OCCNc2cc(NCc3cccnc3)ncn2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-16-4-6-17(7-5-16)26-10-9-21-18-11-19(24-14-23-18)22-13-15-3-2-8-20-12-15/h2-8,11-12,14H,9-10,13H2,1H3,(H2,21,22,23,24)
InChIKeyQVLRLDNLEBYHKN-UHFFFAOYSA-N
XLogP2.98
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.98
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

4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112860359
6-butoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82453638
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855321
4-N-(3,4-dimethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860813
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329883
2-N-(2-phenoxyethyl)-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 25235487
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 118029133
6-N-[2-(dimethylamino)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112857387

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine (CID 112860749) is 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is COc1ccc(OCCNc2cc(NCc3cccnc3)ncn2)cc1.
What is the InChIKey of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is QVLRLDNLEBYHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-25-16-4-6-17(7-5-16)26-10-9-21-18-11-19(24-14-23-18)22-13-15-3-2-8-20-12-15/h2-8,11-12,14H,9-10,13H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 351.41 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).