1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea

C22H26N6O — CID 122296681

IUPAC1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C22H26N6O/c1-4-28(5-2)21-15-20(23-16(3)24-21)25-18-11-13-19(14-12-18)27-22(29)26-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,23,24,25)(H2,26,27,29)
InChIKeyVZTLVZDARPPUSH-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.02
Rot. Bonds7

About 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea

1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea (PubChem CID 122296681) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
PubChem CID122296681
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C22H26N6O/c1-4-28(5-2)21-15-20(23-16(3)24-21)25-18-11-13-19(14-12-18)27-22(29)26-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,23,24,25)(H2,26,27,29)
InChIKeyVZTLVZDARPPUSH-UHFFFAOYSA-N
XLogP5.02
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(2-ethoxyphenyl)urea
CID 122296675
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122296700
1-(1,3-benzodioxol-5-yl)-3-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122296656
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
CID 122296624
1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 42474616
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide
CID 122296731
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
3-bromo-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 122296946
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-fluorobenzamide
CID 122296595
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 122296823
N-[6-(diethylamino)-2-methylpyrimidin-4-yl]benzamide
CID 65389183

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea (CID 122296681) is 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea is CCN(CC)c1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea?
The InChIKey is VZTLVZDARPPUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-4-28(5-2)21-15-20(23-16(3)24-21)25-18-11-13-19(14-12-18)27-22(29)26-17-9-7-6-8-10-17/h6-15H,4-5H2,1-3H3,(H,23,24,25)(H2,26,27,29).
What are the key properties of 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea?
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea has a molecular weight of 390.49 g/mol, XLogP of 5.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea is sourced from PubChem (CID 122296681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).