DOKKMZLPMGLGJX-UHFFFAOYSA-N

Name: DOKKMZLPMGLGJX-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₀N₆O — CID 22112846

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine

SMILESCn1cncc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1

InChIInChI=1S/C24H20N6O/c1-30-16-25-13-23(30)21-11-20-22(12-26-21)27-15-28-24(20)29-18-7-9-19(10-8-18)31-14-17-5-3-2-4-6-17/h2-13,15-16H,14H2,1H3,(H,27,28,29)

InChIKeyDOKKMZLPMGLGJX-UHFFFAOYSA-N

MW408.47 g/mol

LogP4.75

Rot. Bonds6

About DOKKMZLPMGLGJX-UHFFFAOYSA-N

DOKKMZLPMGLGJX-UHFFFAOYSA-N (PubChem CID 22112846) has the molecular formula C₂₄H₂₀N₆O and a molecular weight of 408.47 g/mol. Its IUPAC name is 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name	DOKKMZLPMGLGJX-UHFFFAOYSA-N
PubChem CID	22112846
Molecular Formula	C₂₄H₂₀N₆O
Molecular Weight	408.47 g/mol
Exact Mass	408.17
IUPAC Name	6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine
SMILES	Cn1cncc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1
InChI	InChI=1S/C24H20N6O/c1-30-16-25-13-23(30)21-11-20-22(12-26-21)27-15-28-24(20)29-18-7-9-19(10-8-18)31-14-17-5-3-2-4-6-17/h2-13,15-16H,14H2,1H3,(H,27,28,29)
InChIKey	DOKKMZLPMGLGJX-UHFFFAOYSA-N
XLogP	4.75
TPSA	77.75 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.47
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of DOKKMZLPMGLGJX-UHFFFAOYSA-N?

The IUPAC name of DOKKMZLPMGLGJX-UHFFFAOYSA-N (CID 22112846) is 6-(3-methylimidazol-4-yl)-N-(4-phenylmethoxyphenyl)pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for DOKKMZLPMGLGJX-UHFFFAOYSA-N?

The canonical SMILES for DOKKMZLPMGLGJX-UHFFFAOYSA-N is Cn1cncc1-c1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1.

What is the InChIKey of DOKKMZLPMGLGJX-UHFFFAOYSA-N?

The InChIKey is DOKKMZLPMGLGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-30-16-25-13-23(30)21-11-20-22(12-26-21)27-15-28-24(20)29-18-7-9-19(10-8-18)31-14-17-5-3-2-4-6-17/h2-13,15-16H,14H2,1H3,(H,27,28,29).

What are the key properties of DOKKMZLPMGLGJX-UHFFFAOYSA-N?

DOKKMZLPMGLGJX-UHFFFAOYSA-N has a molecular weight of 408.47 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for DOKKMZLPMGLGJX-UHFFFAOYSA-N is sourced from PubChem (CID 22112846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 22112846 — identifiers, structure, computed properties (public domain)

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