4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine

C14H24FN5 — CID 154189850

IUPAC4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine
SMILESCC1CC(C2(N)N=C(N)NC=C2F)CC(C)N1C1CC1
InChIInChI=1S/C14H24FN5/c1-8-5-10(6-9(2)20(8)11-3-4-11)14(17)12(15)7-18-13(16)19-14/h7-11H,3-6,17H2,1-2H3,(H3,16,18,19)
InChIKeyGCBQIFKNDPMOIF-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.02
Rot. Bonds2

About 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine

4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine (PubChem CID 154189850) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine
PubChem CID154189850
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine
SMILESCC1CC(C2(N)N=C(N)NC=C2F)CC(C)N1C1CC1
InChIInChI=1S/C14H24FN5/c1-8-5-10(6-9(2)20(8)11-3-4-11)14(17)12(15)7-18-13(16)19-14/h7-11H,3-6,17H2,1-2H3,(H3,16,18,19)
InChIKeyGCBQIFKNDPMOIF-UHFFFAOYSA-N
XLogP1.02
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine (CID 154189850) is 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine is CC1CC(C2(N)N=C(N)NC=C2F)CC(C)N1C1CC1.
What is the InChIKey of 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine?
The InChIKey is GCBQIFKNDPMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5/c1-8-5-10(6-9(2)20(8)11-3-4-11)14(17)12(15)7-18-13(16)19-14/h7-11H,3-6,17H2,1-2H3,(H3,16,18,19).
What are the key properties of 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine?
4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine has a molecular weight of 281.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-2,6-dimethylpiperidin-4-yl)-5-fluoro-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154189850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).