(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine

C19H23FN4O — CID 97486112

IUPAC(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
SMILESFc1cccc(CN2CCOC[C@H]2c2nccc(N3CCCC3)n2)c1
InChIInChI=1S/C19H23FN4O/c20-16-5-3-4-15(12-16)13-24-10-11-25-14-17(24)19-21-7-6-18(22-19)23-8-1-2-9-23/h3-7,12,17H,1-2,8-11,13-14H2/t17-/m0/s1
InChIKeyQCZGKYNNJLTUEA-KRWDZBQOSA-N
MW342.42 g/mol
LogP2.79
Rot. Bonds4

About (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine

(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine (PubChem CID 97486112) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
PubChem CID97486112
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
SMILESFc1cccc(CN2CCOC[C@H]2c2nccc(N3CCCC3)n2)c1
InChIInChI=1S/C19H23FN4O/c20-16-5-3-4-15(12-16)13-24-10-11-25-14-17(24)19-21-7-6-18(22-19)23-8-1-2-9-23/h3-7,12,17H,1-2,8-11,13-14H2/t17-/m0/s1
InChIKeyQCZGKYNNJLTUEA-KRWDZBQOSA-N
XLogP2.79
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97484662
4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
CID 131640087
(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 97486436
3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155827817
4-[4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146074434
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
N-propan-2-yl-2-[(3R)-4-(pyridin-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97486608
(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
CID 97487508
[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 131642541
2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 97485536
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The IUPAC name of (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine (CID 97486112) is (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine is Fc1cccc(CN2CCOC[C@H]2c2nccc(N3CCCC3)n2)c1.
What is the InChIKey of (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
The InChIKey is QCZGKYNNJLTUEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-16-5-3-4-15(12-16)13-24-10-11-25-14-17(24)19-21-7-6-18(22-19)23-8-1-2-9-23/h3-7,12,17H,1-2,8-11,13-14H2/t17-/m0/s1.
What are the key properties of (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine?
(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine has a molecular weight of 342.42 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 97486112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).