[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid

About [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid

[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid (PubChem CID 66936356) has the molecular formula C20H31FN6O4 and a molecular weight of 438.50 g/mol. Its IUPAC name is [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name	[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid
PubChem CID	66936356
Molecular Formula	C20H31FN6O4
Molecular Weight	438.50 g/mol
Exact Mass	438.24
IUPAC Name	[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid
SMILES	Cc1nc(NNC(=O)[C@@H](CNC(=O)O)CC2CCCC2)c(F)c(N2CCOC[C@@H]2C)n1
InChI	InChI=1S/C20H31FN6O4/c1-12-11-31-8-7-27(12)18-16(21)17(23-13(2)24-18)25-26-19(28)15(10-22-20(29)30)9-14-5-3-4-6-14/h12,14-15,22H,3-11H2,1-2H3,(H,26,28)(H,29,30)(H,23,24,25)/t12-,15+/m0/s1
InChIKey	HIPBZIOTPAZHFV-SWLSCSKDSA-N
XLogP	2.06
TPSA	128.71 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?

The IUPAC name of [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid (CID 66936356) is [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid.

What is the SMILES notation for [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?

The canonical SMILES for [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid is Cc1nc(NNC(=O)[C@@H](CNC(=O)O)CC2CCCC2)c(F)c(N2CCOC[C@@H]2C)n1.

What is the InChIKey of [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?

The InChIKey is HIPBZIOTPAZHFV-SWLSCSKDSA-N. The full InChI is InChI=1S/C20H31FN6O4/c1-12-11-31-8-7-27(12)18-16(21)17(23-13(2)24-18)25-26-19(28)15(10-22-20(29)30)9-14-5-3-4-6-14/h12,14-15,22H,3-11H2,1-2H3,(H,26,28)(H,29,30)(H,23,24,25)/t12-,15+/m0/s1.

What are the key properties of [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid?

[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid has a molecular weight of 438.50 g/mol, XLogP of 2.06, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 66936356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).