4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine

C14H16FN5O — CID 143471171

IUPAC4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine
SMILESFc1cncnc1N1CCOCC1.[H]/N=C/c1ccccn1
InChIInChI=1S/C8H10FN3O.C6H6N2/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12;7-5-6-3-1-2-4-8-6/h5-6H,1-4H2;1-5,7H/b;7-5+
InChIKeyBUVHQQNPGSTRPO-QIHXQYKCSA-N
MW289.31 g/mol
LogP1.53
Rot. Bonds2

About 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine

4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine (PubChem CID 143471171) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine
PubChem CID143471171
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine
SMILESFc1cncnc1N1CCOCC1.[H]/N=C/c1ccccn1
InChIInChI=1S/C8H10FN3O.C6H6N2/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12;7-5-6-3-1-2-4-8-6/h5-6H,1-4H2;1-5,7H/b;7-5+
InChIKeyBUVHQQNPGSTRPO-QIHXQYKCSA-N
XLogP1.53
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine?
The IUPAC name of 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine (CID 143471171) is 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine.
What is the SMILES notation for 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine?
The canonical SMILES for 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine is Fc1cncnc1N1CCOCC1.[H]/N=C/c1ccccn1.
What is the InChIKey of 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine?
The InChIKey is BUVHQQNPGSTRPO-QIHXQYKCSA-N. The full InChI is InChI=1S/C8H10FN3O.C6H6N2/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12;7-5-6-3-1-2-4-8-6/h5-6H,1-4H2;1-5,7H/b;7-5+.
What are the key properties of 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine?
4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine has a molecular weight of 289.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-4-yl)morpholine;pyridin-2-ylmethanimine is sourced from PubChem (CID 143471171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).