3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide

C23H31N5O2 — CID 18566688

IUPAC3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C23H31N5O2/c1-17-16-21(28-12-14-30-15-13-28)27-23(24-17)26-20-9-7-19(8-10-20)25-22(29)11-6-18-4-2-3-5-18/h7-10,16,18H,2-6,11-15H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyWZDPPZHEJKKQKE-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.27
Rot. Bonds7

About 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide

3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide (PubChem CID 18566688) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
PubChem CID18566688
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)n1
InChIInChI=1S/C23H31N5O2/c1-17-16-21(28-12-14-30-15-13-28)27-23(24-17)26-20-9-7-19(8-10-20)25-22(29)11-6-18-4-2-3-5-18/h7-10,16,18H,2-6,11-15H2,1H3,(H,25,29)(H,24,26,27)
InChIKeyWZDPPZHEJKKQKE-UHFFFAOYSA-N
XLogP4.27
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 122297331
3,3,3-trifluoro-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 122288154
N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]oxane-4-carboxamide
CID 122288097
3-cyclopentyl-1-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122348357
3-cyclopentyl-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]propanamide
CID 18566661
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
2-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122288068
3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 46267959
2-indol-1-yl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122288135
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
3,4-diethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27655731
3,4-dimethoxy-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 44826867

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide (CID 18566688) is 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide is Cc1cc(N2CCOCC2)nc(Nc2ccc(NC(=O)CCC3CCCC3)cc2)n1.
What is the InChIKey of 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
The InChIKey is WZDPPZHEJKKQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-17-16-21(28-12-14-30-15-13-28)27-23(24-17)26-20-9-7-19(8-10-20)25-22(29)11-6-18-4-2-3-5-18/h7-10,16,18H,2-6,11-15H2,1H3,(H,25,29)(H,24,26,27).
What are the key properties of 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide?
3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide has a molecular weight of 409.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 18566688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).