3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide

C23H32N6O2 — CID 68896966

IUPAC3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide
SMILESCC(CN1CCOCC1)c1cccc(Nc2ncc(C3CC3)c(NCCC(N)=O)n2)c1
InChIInChI=1S/C23H32N6O2/c1-16(15-29-9-11-31-12-10-29)18-3-2-4-19(13-18)27-23-26-14-20(17-5-6-17)22(28-23)25-8-7-21(24)30/h2-4,13-14,16-17H,5-12,15H2,1H3,(H2,24,30)(H2,25,26,27,28)
InChIKeyHILXGOXDTWLLPQ-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.82
Rot. Bonds10

About 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide

3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide (PubChem CID 68896966) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide
PubChem CID68896966
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide
SMILESCC(CN1CCOCC1)c1cccc(Nc2ncc(C3CC3)c(NCCC(N)=O)n2)c1
InChIInChI=1S/C23H32N6O2/c1-16(15-29-9-11-31-12-10-29)18-3-2-4-19(13-18)27-23-26-14-20(17-5-6-17)22(28-23)25-8-7-21(24)30/h2-4,13-14,16-17H,5-12,15H2,1H3,(H2,24,30)(H2,25,26,27,28)
InChIKeyHILXGOXDTWLLPQ-UHFFFAOYSA-N
XLogP2.82
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68622843
3-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide
CID 68621998
3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68622908
3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68624018
3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68622907
3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]benzamide
CID 68623099
[3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 68622905
N-[3-[[5-cyclopropyl-2-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225261
N-[3-[[2-(3-aminoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 68622276
3-[[5-bromo-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propanamide
CID 68621888
N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]acetamide;2,2,2-trifluoroacetic acid
CID 68623449
2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266695

Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide (CID 68896966) is 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide is CC(CN1CCOCC1)c1cccc(Nc2ncc(C3CC3)c(NCCC(N)=O)n2)c1.
What is the InChIKey of 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide?
The InChIKey is HILXGOXDTWLLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-16(15-29-9-11-31-12-10-29)18-3-2-4-19(13-18)27-23-26-14-20(17-5-6-17)22(28-23)25-8-7-21(24)30/h2-4,13-14,16-17H,5-12,15H2,1H3,(H2,24,30)(H2,25,26,27,28).
What are the key properties of 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide?
3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide has a molecular weight of 424.55 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 68896966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).