[(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

C14H21FN4O2 — CID 72870366

IUPAC[(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(c2ncc(F)cn2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C14H21FN4O2/c15-13-5-16-14(17-6-13)19-8-11(12(9-19)10-20)7-18-1-3-21-4-2-18/h5-6,11-12,20H,1-4,7-10H2/t11-,12-/m1/s1
InChIKeyZJQBXJPXXLDPQT-VXGBXAGGSA-N
MW296.35 g/mol
LogP-0.01
Rot. Bonds4

About [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (PubChem CID 72870366) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
PubChem CID72870366
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name[(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CN(c2ncc(F)cn2)C[C@H]1CN1CCOCC1
InChIInChI=1S/C14H21FN4O2/c15-13-5-16-14(17-6-13)19-8-11(12(9-19)10-20)7-18-1-3-21-4-2-18/h5-6,11-12,20H,1-4,7-10H2/t11-,12-/m1/s1
InChIKeyZJQBXJPXXLDPQT-VXGBXAGGSA-N
XLogP-0.01
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol (CID 72870366) is [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is OC[C@H]1CN(c2ncc(F)cn2)C[C@H]1CN1CCOCC1.
What is the InChIKey of [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
The InChIKey is ZJQBXJPXXLDPQT-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H21FN4O2/c15-13-5-16-14(17-6-13)19-8-11(12(9-19)10-20)7-18-1-3-21-4-2-18/h5-6,11-12,20H,1-4,7-10H2/t11-,12-/m1/s1.
What are the key properties of [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol has a molecular weight of 296.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(5-fluoropyrimidin-2-yl)-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 72870366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).