3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide

C16H18FN5O — CID 68622908

IUPAC3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(F)cc2)ncc1C1CC1
InChIInChI=1S/C16H18FN5O/c17-11-3-5-12(6-4-11)21-16-20-9-13(10-1-2-10)15(22-16)19-8-7-14(18)23/h3-6,9-10H,1-2,7-8H2,(H2,18,23)(H2,19,20,21,22)
InChIKeyGXRCMIMWAZTUHH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.52
Rot. Bonds7

About 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide

3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide (PubChem CID 68622908) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
PubChem CID68622908
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide
SMILESNC(=O)CCNc1nc(Nc2ccc(F)cc2)ncc1C1CC1
InChIInChI=1S/C16H18FN5O/c17-11-3-5-12(6-4-11)21-16-20-9-13(10-1-2-10)15(22-16)19-8-7-14(18)23/h3-6,9-10H,1-2,7-8H2,(H2,18,23)(H2,19,20,21,22)
InChIKeyGXRCMIMWAZTUHH-UHFFFAOYSA-N
XLogP2.52
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[5-cyclopropyl-2-[(1-methylindazol-6-yl)amino]pyrimidin-4-yl]amino]propanamide
CID 68621998
3-[[5-cyclopropyl-2-[3-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68622843
3-[[5-cyclopropyl-2-[3-(1-morpholin-4-ylpropan-2-yl)anilino]pyrimidin-4-yl]amino]propanamide
CID 68896966
3-[[4-(3-aminopropylamino)-5-cyclopropylpyrimidin-2-yl]amino]benzamide
CID 68623099
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
[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 153365871
4-N-(3-aminopropyl)-2-N-(3H-benzimidazol-5-yl)-5-cyclopropylpyrimidine-2,4-diamine
CID 68622343
N-[3-[[2-(4-acetamidoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 59225254
N-[3-[[2-(3-aminoanilino)-5-cyclopropylpyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 68622276

Frequently Asked Questions

What is the IUPAC name of 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide (CID 68622908) is 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide is NC(=O)CCNc1nc(Nc2ccc(F)cc2)ncc1C1CC1.
What is the InChIKey of 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is GXRCMIMWAZTUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-11-3-5-12(6-4-11)21-16-20-9-13(10-1-2-10)15(22-16)19-8-7-14(18)23/h3-6,9-10H,1-2,7-8H2,(H2,18,23)(H2,19,20,21,22).
What are the key properties of 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide?
3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 315.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-cyclopropyl-2-(4-fluoroanilino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 68622908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).