5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine

C18H24FN7O — CID 71014689

IUPAC5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)nc2)nc1NC1CCCNC1
InChIInChI=1S/C18H24FN7O/c19-15-12-22-18(25-17(15)23-13-2-1-5-20-10-13)24-14-3-4-16(21-11-14)26-6-8-27-9-7-26/h3-4,11-13,20H,1-2,5-10H2,(H2,22,23,24,25)
InChIKeyOERAEHXRCCPYFT-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.75
Rot. Bonds5

About 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine

5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine (PubChem CID 71014689) has the molecular formula C18H24FN7O and a molecular weight of 373.44 g/mol. Its IUPAC name is 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine
PubChem CID71014689
Molecular FormulaC18H24FN7O
Molecular Weight373.44 g/mol
Exact Mass373.20
IUPAC Name5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)nc2)nc1NC1CCCNC1
InChIInChI=1S/C18H24FN7O/c19-15-12-22-18(25-17(15)23-13-2-1-5-20-10-13)24-14-3-4-16(21-11-14)26-6-8-27-9-7-26/h3-4,11-13,20H,1-2,5-10H2,(H2,22,23,24,25)
InChIKeyOERAEHXRCCPYFT-UHFFFAOYSA-N
XLogP1.75
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine (CID 71014689) is 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine is Fc1cnc(Nc2ccc(N3CCOCC3)nc2)nc1NC1CCCNC1.
What is the InChIKey of 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
The InChIKey is OERAEHXRCCPYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN7O/c19-15-12-22-18(25-17(15)23-13-2-1-5-20-10-13)24-14-3-4-16(21-11-14)26-6-8-27-9-7-26/h3-4,11-13,20H,1-2,5-10H2,(H2,22,23,24,25).
What are the key properties of 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine?
5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine has a molecular weight of 373.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-(6-morpholin-4-yl-3-pyridinyl)-4-N-piperidin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 71014689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).