2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine

C20H29N7O — CID 172900711

IUPAC2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
SMILESCC(C)c1nccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C20H29N7O/c1-15(2)19-21-8-6-18(25-19)27-9-3-4-16(14-27)23-17-5-7-22-20(24-17)26-10-12-28-13-11-26/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24)
InChIKeyFIQYYZOKKLBHHH-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.31
Rot. Bonds5

About 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine

2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine (PubChem CID 172900711) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
PubChem CID172900711
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
SMILESCC(C)c1nccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C20H29N7O/c1-15(2)19-21-8-6-18(25-19)27-9-3-4-16(14-27)23-17-5-7-22-20(24-17)26-10-12-28-13-11-26/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24)
InChIKeyFIQYYZOKKLBHHH-UHFFFAOYSA-N
XLogP2.31
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine (CID 172900711) is 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine is CC(C)c1nccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is FIQYYZOKKLBHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-15(2)19-21-8-6-18(25-19)27-9-3-4-16(14-27)23-17-5-7-22-20(24-17)26-10-12-28-13-11-26/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,22,23,24).
What are the key properties of 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 383.50 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172900711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).