5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

C20H24FN7O — CID 11567452

IUPAC5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1ncc(-c2nc(Nc3ccc(N4CCOCC4)nc3)ncc2F)n1C(C)C
InChIInChI=1S/C20H24FN7O/c1-13(2)28-14(3)22-12-17(28)19-16(21)11-24-20(26-19)25-15-4-5-18(23-10-15)27-6-8-29-9-7-27/h4-5,10-13H,6-9H2,1-3H3,(H,24,25,26)
InChIKeyYPSODPWBNBDDLQ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.34
Rot. Bonds5

About 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine

5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 11567452) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID11567452
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC Name5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1ncc(-c2nc(Nc3ccc(N4CCOCC4)nc3)ncc2F)n1C(C)C
InChIInChI=1S/C20H24FN7O/c1-13(2)28-14(3)22-12-17(28)19-16(21)11-24-20(26-19)25-15-4-5-18(23-10-15)27-6-8-29-9-7-27/h4-5,10-13H,6-9H2,1-3H3,(H,24,25,26)
InChIKeyYPSODPWBNBDDLQ-UHFFFAOYSA-N
XLogP3.34
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine (CID 11567452) is 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is Cc1ncc(-c2nc(Nc3ccc(N4CCOCC4)nc3)ncc2F)n1C(C)C.
What is the InChIKey of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is YPSODPWBNBDDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-13(2)28-14(3)22-12-17(28)19-16(21)11-24-20(26-19)25-15-4-5-18(23-10-15)27-6-8-29-9-7-27/h4-5,10-13H,6-9H2,1-3H3,(H,24,25,26).
What are the key properties of 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 397.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 11567452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).