N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide

C18H28FN5O2 — CID 128993979

IUPACN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCC2)n1
InChIInChI=1S/C18H28FN5O2/c1-23(2)17-20-8-5-15(22-17)24-12-13(19)9-14(24)11-21-16(25)10-18(26)6-3-4-7-18/h5,8,13-14,26H,3-4,6-7,9-12H2,1-2H3,(H,21,25)/t13-,14-/m0/s1
InChIKeySNMJZZJXDZTPGP-KBPBESRZSA-N
MW365.45 g/mol
LogP1.27
Rot. Bonds6

About N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 128993979) has the molecular formula C18H28FN5O2 and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID128993979
Molecular FormulaC18H28FN5O2
Molecular Weight365.45 g/mol
Exact Mass365.22
IUPAC NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCC2)n1
InChIInChI=1S/C18H28FN5O2/c1-23(2)17-20-8-5-15(22-17)24-12-13(19)9-14(24)11-21-16(25)10-18(26)6-3-4-7-18/h5,8,13-14,26H,3-4,6-7,9-12H2,1-2H3,(H,21,25)/t13-,14-/m0/s1
InChIKeySNMJZZJXDZTPGP-KBPBESRZSA-N
XLogP1.27
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide (CID 128993979) is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide is CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)CC2(O)CCCC2)n1.
What is the InChIKey of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is SNMJZZJXDZTPGP-KBPBESRZSA-N. The full InChI is InChI=1S/C18H28FN5O2/c1-23(2)17-20-8-5-15(22-17)24-12-13(19)9-14(24)11-21-16(25)10-18(26)6-3-4-7-18/h5,8,13-14,26H,3-4,6-7,9-12H2,1-2H3,(H,21,25)/t13-,14-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 365.45 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 128993979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).