4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine

C20H26N8O — CID 67175089

IUPAC4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C20H26N8O/c1-15-2-3-16(21)12-17(15)26-20-23-5-7-28(20)19-13-18(24-14-25-19)22-4-6-27-8-10-29-11-9-27/h2-3,5,7,12-14H,4,6,8-11,21H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyWVEGHBFZGFGZSG-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.04
Rot. Bonds7

About 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine

4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine (PubChem CID 67175089) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine
PubChem CID67175089
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine
SMILESCc1ccc(N)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C20H26N8O/c1-15-2-3-16(21)12-17(15)26-20-23-5-7-28(20)19-13-18(24-14-25-19)22-4-6-27-8-10-29-11-9-27/h2-3,5,7,12-14H,4,6,8-11,21H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyWVEGHBFZGFGZSG-UHFFFAOYSA-N
XLogP2.04
TPSA106.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine?
The IUPAC name of 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine (CID 67175089) is 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine?
The canonical SMILES for 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine is Cc1ccc(N)cc1Nc1nccn1-c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine?
The InChIKey is WVEGHBFZGFGZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-15-2-3-16(21)12-17(15)26-20-23-5-7-28(20)19-13-18(24-14-25-19)22-4-6-27-8-10-29-11-9-27/h2-3,5,7,12-14H,4,6,8-11,21H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine?
4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine has a molecular weight of 394.48 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 67175089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).