3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide

C23H33N5O — CID 122296736

IUPAC3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)nc(C)n1
InChIInChI=1S/C23H33N5O/c1-4-28(5-2)22-16-21(24-17(3)25-22)26-19-11-13-20(14-12-19)27-23(29)15-10-18-8-6-7-9-18/h11-14,16,18H,4-10,15H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyRXBCAVXSVPNQCF-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.28
Rot. Bonds9

About 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide

3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide (PubChem CID 122296736) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
PubChem CID122296736
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)nc(C)n1
InChIInChI=1S/C23H33N5O/c1-4-28(5-2)22-16-21(24-17(3)25-22)26-19-11-13-20(14-12-19)27-23(29)15-10-18-8-6-7-9-18/h11-14,16,18H,4-10,15H2,1-3H3,(H,27,29)(H,24,25,26)
InChIKeyRXBCAVXSVPNQCF-UHFFFAOYSA-N
XLogP5.28
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122296738
3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 46267959
3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297331
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122296853
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
2-cyclopentyl-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324222
3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide
CID 18566661
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
CID 122296737
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122296854
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122296645
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-(trifluoromethyl)benzamide
CID 122296604

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide (CID 122296736) is 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide is CCN(CC)c1cc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)nc(C)n1.
What is the InChIKey of 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide?
The InChIKey is RXBCAVXSVPNQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-4-28(5-2)22-16-21(24-17(3)25-22)26-19-11-13-20(14-12-19)27-23(29)15-10-18-8-6-7-9-18/h11-14,16,18H,4-10,15H2,1-3H3,(H,27,29)(H,24,25,26).
What are the key properties of 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide?
3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide has a molecular weight of 395.55 g/mol, XLogP of 5.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide is sourced from PubChem (CID 122296736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).