N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide

C16H24FN5O2 — CID 128994957

IUPACN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)C1
InChIInChI=1S/C16H24FN5O2/c1-21-2-3-24-15(10-21)16(23)20-7-14-4-13(17)9-22(14)8-12-5-18-11-19-6-12/h5-6,11,13-15H,2-4,7-10H2,1H3,(H,20,23)/t13-,14-,15?/m0/s1
InChIKeyYQRGDOOYWDPJEH-ZYOSVBKOSA-N
MW337.40 g/mol
LogP-0.16
Rot. Bonds5

About N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide

N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide (PubChem CID 128994957) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide
PubChem CID128994957
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC NameN-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide
SMILESCN1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)C1
InChIInChI=1S/C16H24FN5O2/c1-21-2-3-24-15(10-21)16(23)20-7-14-4-13(17)9-22(14)8-12-5-18-11-19-6-12/h5-6,11,13-15H,2-4,7-10H2,1H3,(H,20,23)/t13-,14-,15?/m0/s1
InChIKeyYQRGDOOYWDPJEH-ZYOSVBKOSA-N
XLogP-0.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide (CID 128994957) is N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide is CN1CCOC(C(=O)NC[C@@H]2C[C@H](F)CN2Cc2cncnc2)C1.
What is the InChIKey of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is YQRGDOOYWDPJEH-ZYOSVBKOSA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-21-2-3-24-15(10-21)16(23)20-7-14-4-13(17)9-22(14)8-12-5-18-11-19-6-12/h5-6,11,13-15H,2-4,7-10H2,1H3,(H,20,23)/t13-,14-,15?/m0/s1.
What are the key properties of N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide?
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 128994957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).